Water
- Formula: H2O
- Molecular weight: 18.0153
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
- CAS Registry Number: 7732-18-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Water vapor; Distilled water; Ice; H2O; Dihydrogen oxide; steam; Tritiotope
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1360
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
- Fluid Properties
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -57.7978 ± 0.0096 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -57.799 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 45.1326 ± 0.0024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 45.134 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 500. to 1700. | 1700. to 6000. |
---|---|---|
A | 7.192161 | 10.02970 |
B | 1.633011 | 2.060720 |
C | 1.623670 | -0.358456 |
D | -0.605755 | 0.023451 |
E | 0.019632 | -2.666740 |
F | -59.96200 | -65.05251 |
G | 53.39309 | 52.52890 |
H | -57.79790 | -57.79790 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1979 | Data last reviewed in March, 1979 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -68.3150 ± 0.0096 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°liquid | -68.315 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 16.72 ± 0.007 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 16.72 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1979 |
Liquid Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 500. |
---|---|
A | -48.66300 |
B | 364.0750 |
C | -763.9610 |
D | 591.4089 |
E | 0.921445 |
F | -61.31640 |
G | -116.8060 |
H | -68.31511 |
Reference | Chase, 1998 |
Comment | Data last reviewed in March, 1979 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 373.17 ± 0.04 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.0060 | atm | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 1.×10-7 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 647. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 217.75 | atm | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 0.05 atm; TRC |
Pc | 217.72 | atm | N/A | Brunner, 1990 | Uncertainty assigned by TRC = 0.12 atm; TRC |
Pc | 217.58 | atm | N/A | Morita, Sato, et al., 1989 | Uncertainty assigned by TRC = 0.25 atm; based on analysis of their obs. PVT and vapor pressure data some other data from literature; TRC |
Pc | 217.75 | atm | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.30 atm; TRC |
Pc | 217.75 | atm | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.0001 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 17.9 | mol/l | N/A | Sato, Watanabe, et al., 1991 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
ρc | 17.91 | mol/l | N/A | Morita, Sato, et al., 1989 | Uncertainty assigned by TRC = 0.083 mol/l; based on analysis of obs. PVT and vapor pressure data; TRC |
ρc | 17.9 | mol/l | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
ρc | 17.9 | mol/l | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
379. to 573. | 3.55388 | 643.748 | -198.043 | Liu and Lindsay, 1970 | Coefficents calculated by NIST from author's data. |
273. to 303. | 5.39650 | 1838.675 | -31.737 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
304. to 333. | 5.19818 | 1733.926 | -39.485 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
334. to 363. | 5.0711 | 1659.793 | -45.854 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
344. to 373. | 5.07783 | 1663.125 | -45.622 | Bridgeman and Aldrich, 1964 | Coefficents calculated by NIST from author's data. |
293. to 343. | 6.20392 | 2354.731 | 7.559 | Gubkov, Fermor, et al., 1964 | Coefficents calculated by NIST from author's data. |
255.9 to 373. | 4.6486 | 1435.264 | -64.848 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
MS - José A. Martinho Simões
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: Cl- + H2O = (Cl- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 5. | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19. ± 3. | cal/mol*K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
By formula: (H3O+ • 2H2O) + H2O = (H3O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 0.9 | kcal/mol | AVG | N/A | Average of 9 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 2. | cal/mol*K | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.4 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
9.2 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
8.4 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
8.3 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
By formula: CH3O+ + H2O = (CH3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M |
ΔrH° | 27.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M |
ΔrH° | 28.5 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 28.6 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 28.7 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.9 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.8 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.4 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrG° | 20.5 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: H3O+ + H2O = (H3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 2. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 7. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ • H2O) + H2O = (H3O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. ± 4. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.6 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ • 3H2O) + H2O = (H3O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 4. | kcal/mol | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 5. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
5.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
5.0 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
5.0 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
7.0 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: NO3- + H2O = (NO3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.60 ± 0.20 | kcal/mol | N/A | Lee, Keesee, et al., 1980 | gas phase; B,M |
ΔrH° | 14.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.40 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 14.8 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 19.2 | kcal/mol | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 21.3 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
ΔrS° | 19.1 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.30 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 7.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 6.70 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
6.8 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.0 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: NO2- + H2O = (NO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 20.0 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M |
ΔrS° | 23.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 21. | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 8.1 ± 5.8 | kcal/mol | Endo | Paulson and Dale, 1982 | gas phase; B |
ΔrG° | 8.10 ± 0.20 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
ΔrG° | 8.00 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
8.4 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: (Na+ • 3H2O) + H2O = (Na+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 0.9 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 3. | cal/mol*K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.1 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
6.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Cl- • 2H2O) + H2O = (Cl- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.4 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 23.2 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: I- + H2O = (I- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 19.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 16.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • H2O) + H2O = (I- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.90 ± 0.20 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 9.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 19.0 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cl- • H2O) + H2O = (Cl- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.5 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 6.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 6.5 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 6.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.7 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 19.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 19.8 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.2 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.3 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 16.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 17.0 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.0 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.0 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (H3O+ • 4H2O) + H2O = (H3O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 2. | kcal/mol | AVG | N/A | Average of 5 out of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 4. | cal/mol*K | AVG | N/A | Average of 4 out of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: (Na+ • H2O) + H2O = (Na+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19. ± 2. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Na+ • 2H2O) + H2O = (Na+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrH° | 15.8 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 16.7 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 16.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrS° | 21.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.8 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Cl- • 3H2O) + H2O = (Cl- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 9.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 10.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrH° | 10.90 ± 0.70 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 25.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 3.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 3.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.0 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrH° | 13.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.8 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 5.80 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
5.8 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line; M |
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
ΔrH° | 14.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line; M |
ΔrS° | 22.0 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 414. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
C16H34OP2Ru (solution) + (solution) = C28H43NP2Ru (solution) + (solution)
By formula: C16H34OP2Ru (solution) + C12H11N (solution) = C28H43NP2Ru (solution) + H2O (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.2 ± 0.1 | kcal/mol | EqS | Bryndza, Fong, et al., 1987 | solvent: Tetrahydrofuran; In a series of reactions involving similar ruthenium complexes, the reaction enthalpy was identified with the reaction Gibbs energy, since the entropy values are expected to be small Bryndza, Fong, et al., 1987. For this reaction, however a van't Hoff plot could be used. Temperature range: 293-328 K; MS |
ΔrH° | 4.71 | kcal/mol | EqS | Bryndza, Fong, et al., 1987 | solvent: Benzene; The reaction enthalpy was identified with the reaction Gibbs energy, since the the entropy is expected to be small Bryndza, Fong, et al., 1987; MS |
By formula: C2H3O2- + H2O = (C2H3O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.40 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
ΔrH° | 15.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 16.0 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 16.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 15.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; ion given as C2H3COO- in paper by error; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.0 ± 1.4 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
ΔrG° | 9.52 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 9.3 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 9.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (I- • 2H2O) + H2O = (I- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 8.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 21.0 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 21.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 3.10 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
C2H5NaO (cr) + 0.5( • 1100) (solution) = (solution) + 0.5 (solution)
By formula: C2H5NaO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.30 ± 0.91 | kcal/mol | RSC | Blanchard, Joly, et al., 1974 | solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -117.3 ± 1.4 kcal/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -98.0 ± 1.0 kcal/mol and -98.90 kcal/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS |
By formula: K+ + H2O = (K+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 19.4 ± 2.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
ΔrH° | 17.9 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 21.3 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
ΔrS° | 21.6 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
0.4 | 840. | MS | Chupka, 1959 | gas phase; Knudsen cell, 840+-50K; M |
By formula: (Br- • H2O) + H2O = (Br- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.4 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 5.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 5.7 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: CN- + H2O = (CN- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
ΔrH° | 14.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,B,M,M |
ΔrH° | 13.80 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 18. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.30 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
ΔrG° | 7.90 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.7 ± 1.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.1 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrH° | 11.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 4.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.5 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: Br- + H2O = (Br- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
ΔrH° | 12.7 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.30 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.0 ± 2.8 | kcal/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
ΔrG° | 7.0 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: CH2N+ + H2O = (CH2N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 29.6 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 28.8 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 300. | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: HO- + H2O = (HO- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.0 ± 0.9 | kcal/mol | AVG | N/A | Average of 3 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.1 | cal/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: HO- + H2O = (HO- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. ± 7. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 1.0 | kcal/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B |
ΔrG° | 20.1 ± 1.6 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 20.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrG° | 18.60 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (F- • H2O) + H2O = (F- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.20 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M |
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.7 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.5 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrG° | 11.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 11.00 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (C2H3O2- • 2H2O) + H2O = (C2H3O2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.84 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 10.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 26.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.90 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: O3P- + H2O = (O3P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.90 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M |
ΔrH° | 12.6 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 1.2 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B |
ΔrG° | 6.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
By formula: Na+ + H2O = (Na+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.0 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 21.0 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 19.6 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 22.7 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 26.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 22. | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.6 (+1.8,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (K+ • 2H2O) + H2O = (K+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 13.2 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 23.0 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (C2H3O2- • H2O) + H2O = (C2H3O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.00 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (Cl- • 6H2O) + H2O = (Cl- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
ΔrH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 8.1 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: Rb+ + H2O = (Rb+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 16.0 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 20.1 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 14.3 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.20 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
5.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: C4H6N+ + H2O = (C4H6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 13.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrH° | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrS° | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 344. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C4H5O+ + H2O = (C4H5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 10.2 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrH° | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrS° | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 382. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
By formula: (F- • 2H2O) + H2O = (F- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.6 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 7.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (HO- • H2O) + H2O = (HO- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 18. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
ΔrH° | 17.9 | kcal/mol | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrH° | 16.4 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
ΔrH° | 23. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: C2H4F3O+ + H2O = (C2H4F3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to H2O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.621 ± 0.002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 165. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 157.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
H+ | 16.95 ± 0.05 | OH | EI | Lefaivre and Marmet, 1978 | LLK |
H+ | 18.7 ± 0.05 | OH(X2P) | EI | Appell and Durup, 1973 | LLK |
H+ | 16.0 ± 0.3 | OH- | EI | Cottin, 1959 | RDSH |
H+ | 19.6 ± 0.25 | OH | EI | Cottin, 1959 | RDSH |
HO+ | 18.08 ± 0.05 | H | EI | Lefaivre and Marmet, 1978 | LLK |
HO+ | 18.115 ± 0.008 | H | PI | McCulloh, 1976 | LLK |
HO+ | 18.2 | H | EI | Morrison and Traeger, 1973 | LLK |
HO+ | 18.05 | H | PI | Dibeler, Walker, et al., 1966 | RDSH |
HO+ | 18.2 ± 0.1 | H | EI | Foner and Hudson, 1956 | RDSH |
H2+ | 20.7 ± 0.4 | O | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 19.0 | H2 | EI | Morrison and Traeger, 1973 | LLK |
O+ | 26.8 | 2H | EI | Morrison and Traeger, 1973 | LLK |
O+ | 19.0 ± 0.2 | H2 | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 26.5 ± 0.3 | 2H? | EI | Ehrhardt and Kresling, 1967 | RDSH |
O+ | 29.15 ± 0.25 | 2H? | EI | Cottin, 1959 | RDSH |
De-protonation reactions
HO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.330 ± 0.010 | kcal/mol | D-EA | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
ΔrH° | 387.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; ΔS(EA)=1.7; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 383.740 ± 0.060 | kcal/mol | H-TS | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
ΔrG° | 381.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; ΔS(EA)=1.7; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Ag+ + H2O = (Ag+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.3 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.4 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • H2O) + H2O = (Ag+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.4 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 2H2O) + H2O = (Ag+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 3H2O) + H2O = (Ag+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.5 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 4H2O) + H2O = (Ag+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 5H2O) + H2O = (Ag+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.3 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.2 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: Al+ + H2O = (Al+ • H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
24.9 (+3.6,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ • H2O) + H2O = (Al+ • 2H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.1 (+1.2,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ • 2H2O) + H2O = (Al+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.2 (+1.8,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: (Al+ • 3H2O) + H2O = (Al+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.5 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Al+ (3s2); M |
By formula: Bi+ + H2O = (Bi+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.1 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ • H2O) + H2O = (Bi+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ • 2H2O) + H2O = (Bi+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ • 3H2O) + H2O = (Bi+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ • 4H2O) + H2O = (Bi+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: (Bi+ • 5H2O) + H2O = (Bi+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | HPMS | Tang and Castleman, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Tang and Castleman, 1974 | gas phase; M |
By formula: Br- + H2O = (Br- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 11.70 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
ΔrH° | 12.7 | kcal/mol | HPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; FLAME SOURCE, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.30 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.0 ± 2.8 | kcal/mol | TDAs | Burdett and Hayhurst, 1982 | gas phase; B |
ΔrG° | 7.0 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (Br- • H2O) + H2O = (Br- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.60 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 12.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.4 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 5.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 5.7 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 2H2O) + H2O = (Br- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 11.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.7 ± 1.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 4.1 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 3H2O) + H2O = (Br- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 10.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 26.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 ± 0.70 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.90 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Br- • 4H2O) + H2O = (Br- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.80 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.3 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5H2O) + H2O = (Br- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.30 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.0 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 6H2O) + H2O = (Br- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 2.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: (Br- • 7H2O) + H2O = (Br- • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 8H2O) + H2O = (Br- • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.7 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 9H2O) + H2O = (Br- • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 10H2O) + H2O = (Br- • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 11H2O) + H2O = (Br- • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 12H2O) + H2O = (Br- • 13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 13H2O) + H2O = (Br- • 14H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.2 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 14H2O) + H2O = (Br- • 15H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (Br- • 15H2O) + H2O = (Br- • 16H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.3 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: CF3+ + H2O = (CF3+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.6 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase; M |
By formula: CF3O- + H2O = CH2F3O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.8 ± 1.0 | kcal/mol | N/A | Amelynck, Van Bavel, et al., 2000 | gas phase; B |
By formula: CF3O3S- + H2O = (CF3O3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
(CF3O3S- • ) + = (CF3O3S- • 2)
By formula: (CF3O3S- • H2O) + H2O = (CF3O3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: CHO2- + H2O = (CHO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 8.40 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
ΔrG° | 9.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (CHO2- • H2O) + H2O = (CHO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 6.90 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: (CHO2- • 2H2O) + H2O = (CHO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.20 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: CHO3- + H2O = CH3O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.70 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.50 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: (CH2N+ • CHN) + H2O = (CH2N+ • H2O • CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CH2N+ + H2O = (CH2N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrH° | 29.6 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 28.8 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.0 | 300. | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
(CH2N+ • • ) + = (CH2N+ • 2 • )
By formula: (CH2N+ • H2O • CHN) + H2O = (CH2N+ • 2H2O • CHN)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CH2N+ • H2O) + H2O = (CH2N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CH2N+ • 2H2O) + H2O = (CH2N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CH2NO5- + H2O + CH2O2 = CH4NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.40 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: CH2O2S- + 2H2O = CH4O3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 ± 2.0 | kcal/mol | N/A | Surber and Sanov, 2002 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
By formula: CH2O4- + 2H2O = CH4O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.60 ± 0.50 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.8 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH3O+ + H2O = (CH3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M |
ΔrH° | 27.9 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M |
ΔrH° | 28.5 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 28.6 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 28.7 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | N/A | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.9 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.8 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.4 | kcal/mol | ICR | Berman and Beauchamp, 1980 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrG° | 20.5 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 19.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 19.8 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.2 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.3 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 16.9 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrH° | 17.0 | kcal/mol | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.0 | cal/mol*K | N/A | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
ΔrS° | 26.0 | cal/mol*K | FA | Fehsenfeld, Dotan, et al., 1978 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 | kcal/mol | FA | Bohme, Mackay, et al., 1979 | gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M |
By formula: (CH3O+ • 3H2O) + H2O = (CH3O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ • 4H2O) + H2O = (CH3O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ • 5H2O) + H2O = (CH3O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O+ • 6H2O) + H2O = (CH3O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH3O- • CH4O) + H2O = (CH3O- • H2O • CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- • 2CH4O) + H2O = (CH3O- • H2O • 2CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH3O- + H2O = (CH3O- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.3 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 23.9 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.00 ± 0.30 | kcal/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.4 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)H2O, DG>; Meot-Ner(Mautner), 1986; M |
(CH3O- • • ) + = (CH3O- • 2 • )
By formula: (CH3O- • H2O • CH4O) + H2O = (CH3O- • 2H2O • CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.7 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH3O- • H2O) + H2O = (CH3O- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)2H2O; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- • 2H2O) + H2O = (CH3O- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)3H2O; Meot-Ner(Mautner), 1986; M |
By formula: (CH3O- • 3H2O) + H2O = (CH3O- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH3O3S- + H2O = (CH3O3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
(CH3O3S- • ) + = (CH3O3S- • 2)
By formula: (CH3O3S- • H2O) + H2O = (CH3O3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
(CH3O3S- • 2) + = (CH3O3S- • 3)
By formula: (CH3O3S- • 2H2O) + H2O = (CH3O3S- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: CH3O4- + 2H2O = CH5O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.90 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH3S- + H2O = (CH3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.00 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.70 ± 0.70 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: (CH3S- • H2O) + H2O = (CH3S- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 2H2O) + H2O = (CH3S- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: (CH3S- • 3H2O) + H2O = (CH3S- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
By formula: CH4NO+ + H2O = (CH4NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 21.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ • H2O) + H2O = (CH4NO+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ • 2H2O) + H2O = (CH4NO+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ • 3H2O) + H2O = (CH4NO+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 9.7 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: (CH4NO+ • 4H2O) + H2O = (CH4NO+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 9.9 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 25.6 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: CH4O5- + 3H2O = CH6O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.10 ± 0.80 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.3 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: (CH5O+ • CH4O) + H2O = (CH5O+ • H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ • 3CH4O) + H2O = (CH5O+ • H2O • 3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: (CH5O+ • 4CH4O) + H2O = (CH5O+ • H2O • 4CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
By formula: CH5O+ + H2O = (CH5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 25. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(CH5O+ • • 2) + = (CH5O+ • 2 • 2)
By formula: (CH5O+ • H2O • 2CH4O) + H2O = (CH5O+ • 2H2O • 2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
(CH5O+ • • 3) + = (CH5O+ • 2 • 3)
By formula: (CH5O+ • H2O • 3CH4O) + H2O = (CH5O+ • 2H2O • 3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
(CH5O+ • 2 • ) + = (CH5O+ • 3 • )
By formula: (CH5O+ • 2H2O • CH4O) + H2O = (CH5O+ • 3H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
(CH5O+ • 2 • 2) + = (CH5O+ • 3 • 2)
By formula: (CH5O+ • 2H2O • 2CH4O) + H2O = (CH5O+ • 3H2O • 2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
(CH5O+ • 2 • 3) + = (CH5O+ • 3 • 3)
By formula: (CH5O+ • 2H2O • 3CH4O) + H2O = (CH5O+ • 3H2O • 3CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 3 • ) + = (CH5O+ • 4 • )
By formula: (CH5O+ • 3H2O • CH4O) + H2O = (CH5O+ • 4H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
(CH5O+ • 3 • 2) + = (CH5O+ • 4 • 2)
By formula: (CH5O+ • 3H2O • 2CH4O) + H2O = (CH5O+ • 4H2O • 2CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 272. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
(CH5O+ • 4 • ) + = (CH5O+ • 5 • )
By formula: (CH5O+ • 4H2O • CH4O) + H2O = (CH5O+ • 5H2O • CH4O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n, Entropy change calculated or estimated; M |
By formula: (CH5O+ • H2O) + H2O = (CH5O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 21.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 28.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ • 2H2O) + H2O = (CH5O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 14.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ • 3H2O) + H2O = (CH5O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 11.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ • 4H2O) + H2O = (CH5O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ • 5H2O) + H2O = (CH5O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH5O+ • 6H2O) + H2O = (CH5O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 269. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: CH5O2- + 2H2O = CH7O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.70 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: CH5O5- + 3H2O = CH7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.60 ± 0.30 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.5 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH5S+ + H2O = (CH5S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 13.5 | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 476. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: CH6N+ + H2O = (CH6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ • H2O) + H2O = (CH6N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ • 2H2O) + H2O = (CH6N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (CH6N+ • 3H2O) + H2O = (CH6N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (CH6N+ • 4H2O) + H2O = (CH6N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (CH6N+ • 5H2O) + H2O = (CH6N+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.1 | 259. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: CH7O3- + 3H2O = CH9O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.50 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: CH7O6- + 4H2O = CH9O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.40 ± 0.90 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.4 ± 1.0 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
By formula: CH9O4- + 4H2O = CH11O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.10 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: (CN- • CHN) + H2O = (CN- • H2O • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.5 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • 2CHN) + H2O = (CN- • H2O • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • 3CHN) + H2O = (CN- • H2O • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.4 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: CN- + H2O = (CN- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.70 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
ΔrH° | 14.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,B,M,M |
ΔrH° | 13.80 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 18. | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.30 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
ΔrG° | 8.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
ΔrG° | 7.90 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (CN- • H2O • CHN) + H2O = (CN- • 2H2O • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • H2O • 2CHN) + H2O = (CN- • 2H2O • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.9 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
By formula: (CN- • 2H2O • CHN) + H2O = (CN- • 3H2O • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
By formula: (CN- • H2O) + H2O = (CN- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B,M |
ΔrH° | 11.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 18.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; B |
By formula: (CN- • 2H2O) + H2O = (CN- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B,M |
ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.8 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B |
By formula: (CN- • 3H2O) + H2O = (CN- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.8 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Entropy estimated; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 262. | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n, Entropy change calculated or estimated; M |
By formula: CO3- + H2O = CH2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.10 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
ΔrH° | 11.5 ± 1.0 | kcal/mol | IMRE | Fehsenfeld and Ferguson, 1974 | gas phase; B |
ΔrH° | <38.50 | kcal/mol | PDis | Smith, Lee, et al., 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.60 ± 0.40 | kcal/mol | TDAs | Keesee, Lee, et al., 1979 | gas phase; B |
ΔrG° | 6.70 ± 0.40 | kcal/mol | IMRE | Fehsenfeld and Ferguson, 1974 | gas phase; B |
By formula: CO3- + H2O = (CO3- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CO3- • H2O) + H2O = (CO3- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (CO3- • 2H2O) + H2O = (CO3- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.5 | cal/mol*K | HPMS | Keesee, Lee, et al., 1979 | gas phase; M |
By formula: C2Cl3O2- + H2O = (C2Cl3O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C2F3O2- + H2O = (C2F3O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.5 | kcal/mol | N/A | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 13.7 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 6.5 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: (C2F3O2- • H2O) + H2O = (C2F3O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C2H- + H2O = (C2H- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C2HCl2O2- + H2O = (C2HCl2O2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
(C2HCl2O2- • ) + = (C2HCl2O2- • 2)
By formula: (C2HCl2O2- • H2O) + H2O = (C2HCl2O2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C2HF2O2- + H2O = (C2HF2O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
(C2HF2O2- • ) + = (C2HF2O2- • 2)
By formula: (C2HF2O2- • H2O) + H2O = (C2HF2O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C2HO4- + H2O = (C2HO4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C2H2ClO2- + H2O = (C2H2ClO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C2H2FO2- + H2O = (C2H2FO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H2FO2- • H2O) + H2O = (C2H2FO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H2FO2- • 2H2O) + H2O = (C2H2FO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C2H2IO2- + H2O = (C2H2IO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H2IO2- • H2O) + H2O = (C2H2IO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H2IO2- • 2H2O) + H2O = (C2H2IO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C2H2N- + H2O = (C2H2N- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C2H2O+ + H2O = (C2H2O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | EI | Postma, Ruttink, et al., 1986 | gas phase; based on AE(CH2CO+)H2O from (HOCH2)2CO+; M |
By formula: C2H3O+ + H2O = (C2H3O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.6 | kcal/mol | HPMS | Davidson, Lau, et al., 1978 | gas phase; forms CH3COOH2+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.1 | cal/mol*K | HPMS | Davidson, Lau, et al., 1978 | gas phase; forms CH3COOH2+; M |
By formula: C2H3O- + H2O = (C2H3O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (C2H3O2- • C6H11NO3) + H2O = (C2H3O2- • H2O • C6H11NO3)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C2H3O2- + H2O = (C2H3O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.40 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
ΔrH° | 15.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 16.0 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
ΔrH° | 16.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 15.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; ion given as C2H3COO- in paper by error; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.0 ± 1.4 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
ΔrG° | 9.52 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 9.3 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 9.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H3O2- • H2O) + H2O = (C2H3O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 13.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
ΔrS° | 20.5 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.00 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C2H3O2- • 2H2O) + H2O = (C2H3O2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.84 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.9 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H4F3O+ + H2O = (C2H4F3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
23.4 | 309. | ICR | Larson and McMahon, 1982 | gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: (C2H4N+ • C2H3N) + H2O = (C2H4N+ • H2O • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: C2H4N+ + H2O = (C2H4N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.1 ± 1.4 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 22.8 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrH° | 24.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
ΔrS° | 28.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C2H4N+ • • ) + = (C2H4N+ • 2 • )
By formula: (C2H4N+ • H2O • C2H3N) + H2O = (C2H4N+ • 2H2O • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
(C2H4N+ • • 2) + = (C2H4N+ • 2 • 2)
By formula: (C2H4N+ • H2O • 2C2H3N) + H2O = (C2H4N+ • 2H2O • 2C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 316. | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n, Entropy change calculated or estimated; M |
(C2H4N+ • 2 • ) + = (C2H4N+ • 3 • )
By formula: (C2H4N+ • 2H2O • C2H3N) + H2O = (C2H4N+ • 3H2O • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Deakyne, Meot-Ner (Mautner), et al., 1986 | gas phase; n; M |
By formula: (C2H4N+ • H2O) + H2O = (C2H4N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 ± 1.7 | kcal/mol | CID | Honma, Sunderlin, et al., 1993 | gas phase; guided ion beam CID; M |
ΔrH° | 17.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ • 2H2O) + H2O = (C2H4N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ • 3H2O) + H2O = (C2H4N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ • 4H2O) + H2O = (C2H4N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H4N+ • 5H2O) + H2O = (C2H4N+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C2H4NO2- + H2O = C2H6NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.33 ± 0.50 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
ΔrH° | 16.00 ± 0.30 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.3 ± 1.0 | kcal/mol | TDAs | Nieckarz, Atkins, et al., 2008 | gas phase; B |
ΔrG° | 8.20 ± 0.40 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C2H4NO5- + H2O + C2H4O2 = C2H6NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C2H5F2O+ + H2O = (C2H5F2O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
By formula: C2H5F3N+ + H2O = (C2H5F3N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.1 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.0 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
(C2H5F3N+ • ) + = (C2H5F3N+ • 2)
By formula: (C2H5F3N+ • H2O) + H2O = (C2H5F3N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
(C2H5F3N+ • 2) + = (C2H5F3N+ • 3)
By formula: (C2H5F3N+ • 2H2O) + H2O = (C2H5F3N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.2 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: C2H5O+ + H2O = (C2H5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • H2O) + H2O = (C2H5O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 2H2O) + H2O = (C2H5O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 3H2O) + H2O = (C2H5O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 4H2O) + H2O = (C2H5O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 5H2O) + H2O = (C2H5O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 6H2O) + H2O = (C2H5O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C2H5O+ + H2O = (C2H5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 21.9 | kcal/mol | HPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • H2O) + H2O = (C2H5O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 2H2O) + H2O = (C2H5O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H5O+ • 3H2O) + H2O = (C2H5O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C2H5O2+ + H2O = (C2H5O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C2H5O2+ • ) + = (C2H5O2+ • 2)
By formula: (C2H5O2+ • H2O) + H2O = (C2H5O2+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C2H5O2+ • 2) + = (C2H5O2+ • 3)
By formula: (C2H5O2+ • 2H2O) + H2O = (C2H5O2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C2H5O2+ • 3) + = (C2H5O2+ • 4)
By formula: (C2H5O2+ • 3H2O) + H2O = (C2H5O2+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.8 | 334. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
(C2H5O2+ • 4) + = (C2H5O2+ • 5)
By formula: (C2H5O2+ • 4H2O) + H2O = (C2H5O2+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 280. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H5O4- + 2H2O = C2H7O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C2H6NO2+ + H2O = (C2H6NO2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C2H6NO2+ • ) + = (C2H6NO2+ • 2)
By formula: (C2H6NO2+ • H2O) + H2O = (C2H6NO2+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C2H6NO2+ • 2) + = (C2H6NO2+ • 3)
By formula: (C2H6NO2+ • 2H2O) + H2O = (C2H6NO2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: (C2H7O+ • C2H6O) + H2O = (C2H7O+ • H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n, Entropy change is questionable; M |
By formula: C2H7O+ + H2O = (C2H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrH° | 24.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 22.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.2 | cal/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrS° | 29.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; M |
(C2H7O+ • • ) + = (C2H7O+ • 2 • )
By formula: (C2H7O+ • H2O • C2H6O) + H2O = (C2H7O+ • 2H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 2) + = (C2H7O+ • 2 • 2)
By formula: (C2H7O+ • H2O • 2C2H6O) + H2O = (C2H7O+ • 2H2O • 2C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • • 3) + = (C2H7O+ • 2 • 3)
By formula: (C2H7O+ • H2O • 3C2H6O) + H2O = (C2H7O+ • 2H2O • 3C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
(C2H7O+ • 2 • ) + = (C2H7O+ • 3 • )
By formula: (C2H7O+ • 2H2O • C2H6O) + H2O = (C2H7O+ • 3H2O • C2H6O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrH° | 13.8 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Tholman, Tonner, et al., 1994 | gas phase; M |
ΔrS° | 25.4 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Grimsrud, et al., 1974 | gas phase; n; M |
By formula: C2H7O+ + H2O = (C2H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 24. | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 26. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.7 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 19.2 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 28. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 14.2 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 26. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 12.5 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 26. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: (C2H7O+ • 4H2O) + H2O = (C2H7O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C2H7O+ • 5H2O) + H2O = (C2H7O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | PHPMS | Kebarle, 1977 | gas phase; M |
By formula: C2H7O2- + H2O + CH4O = C2H9O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.10 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C2H7O5- + 3H2O = C2H9O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C2H7O5S- + 2H2O = C2H9O6S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C2H7S+ + H2O = (C2H7S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Lias, Liebman, et al., 1984; M |
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: (C2H7S+ • H2O) + H2O = (C2H7S+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C2H7S+ + H2O = (C2H7S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C2H8N+ + H2O = (C2H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (C2H8N+ • 3H2O) + H2O = (C2H8N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H8N+ • 4H2O) + H2O = (C2H8N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C2H8N+ • 5H2O) + H2O = (C2H8N+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 255. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H8N+ + H2O = (C2H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: (C2H8N+ • H2O) + H2O = (C2H8N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
By formula: (C2H8N+ • 2H2O) + H2O = (C2H8N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.8 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
C2H8O8S2-2 + 3 = C2H10O9S2-2
By formula: C2H8O8S2-2 + 3H2O = C2H10O9S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C2H9N+ + H2O = (C2H9N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.8 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C2H9O3- + 2H2O + CH4O = C2H11O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.90 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
C2H10O9S2-2 + 4 = C2H12O10S2-2
By formula: C2H10O9S2-2 + 4H2O = C2H12O10S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C2H12O10S2-2 + 5 = C2H14O11S2-2
By formula: C2H12O10S2-2 + 5H2O = C2H14O11S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C2H14O11S2-2 + 6 = C2H16O12S2-2
By formula: C2H14O11S2-2 + 6H2O = C2H16O12S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C3H2F3O- + H2O = (C3H2F3O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.3 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: C3H2N+ + H2O = (C3H2N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.3 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C3H2NO2- + H2O = (C3H2NO2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
(C3H2NO2- • ) + = (C3H2NO2- • 2)
By formula: (C3H2NO2- • H2O) + H2O = (C3H2NO2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C3H3N2- + H2O = (C3H3N2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: (C3H3N2- • H2O) + H2O = (C3H3N2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: (C3H3N2- • 2H2O) + H2O = (C3H3N2- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C3H3O4- + H2O = (C3H3O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C3H3O4- • ) + = (C3H3O4- • 2)
By formula: (C3H3O4- • H2O) + H2O = (C3H3O4- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C3H4N2+ + H2O = (C3H4N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
(C3H4N2+ • ) + = (C3H4N2+ • 2)
By formula: (C3H4N2+ • H2O) + H2O = (C3H4N2+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
(C3H4N2+ • 2) + = (C3H4N2+ • 3)
By formula: (C3H4N2+ • 2H2O) + H2O = (C3H4N2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1988 | gas phase; M |
By formula: C3H4O5- + H2O + C2H4O2 = C3H6O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C3H5O+ + H2O = (C3H5O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: (C3H5O+ • H2O) + H2O = (C3H5O+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: C3H5O+ + H2O = (C3H5O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.7 | kcal/mol | PHPMS | Davidson, Meza-Hojer, et al., 1979 | gas phase; forms protonated propanoic acid; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.1 | cal/mol*K | PHPMS | Davidson, Meza-Hojer, et al., 1979 | gas phase; forms protonated propanoic acid; M |
By formula: (C3H5O+ • 2H2O) + H2O = (C3H5O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
By formula: (C3H5O+ • 3H2O) + H2O = (C3H5O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977 | gas phase; M |
By formula: C3H5O- + H2O = (C3H5O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: C3H5O2- + H2O = (C3H5O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 8.40 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: (C3H5O2- • H2O) + H2O = (C3H5O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 6.90 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: (C3H5O2- • 2H2O) + H2O = (C3H5O2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.10 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C3H5O3- + H2O = (C3H5O3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C3H5O3- + H2O = (C3H5O3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C3H5O5- + 2H2O = C3H7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C3H6+ + H2O = (C3H6+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | CID | Holmes, Mommers, et al., 1984 | gas phase; structure confirmed as ion-dipole complex in Shao, Baer, et al., 1987; M |
By formula: C3H6NO2- + H2O = C3H8NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.80 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C3H7+ + H2O = (C3H7+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase; ΔrH inconsistent with (CH3)2CHOH2+ product; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.7 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase; ΔrH inconsistent with (CH3)2CHOH2+ product; M |
By formula: C3H7O+ + H2O = (C3H7O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C3H7O+ • H2O) + H2O = (C3H7O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C3H7O+ • 2H2O) + H2O = (C3H7O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C3H7O+ • 3H2O) + H2O = (C3H7O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C3H7O+ • 4H2O) + H2O = (C3H7O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C3H7O+ + H2O = (C3H7O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; M |
By formula: C3H9O+ + H2O = (C3H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: C3H9O+ + H2O = (C3H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS; M |
ΔrH° | 13.5 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; unusually small ΔrH and ΔrS; M |
ΔrS° | 12.7 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase; M |
By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrH° | 14.9 | kcal/mol | HPMS | Beggs and Field, 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
ΔrS° | 21.5 | cal/mol*K | HPMS | Beggs and Field, 1971 | gas phase; M |
By formula: (C3H9O+ • 2H2O) + H2O = (C3H9O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 3H2O) + H2O = (C3H9O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 4H2O) + H2O = (C3H9O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 5H2O) + H2O = (C3H9O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; M |
By formula: (C3H9O+ • 6H2O) + H2O = (C3H9O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C3H9S+ + H2O = (C3H9S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 347. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C3H9S+ + H2O = (C3H9S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 446. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C3H9S+ + H2O = (C3H9S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 418. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C3H9Si+ + H2O = (C3H9Si+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.1 ± 1.9 | kcal/mol | PHPMS | Stone and Wojtyniak, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Stone and Wojtyniak, 1986 | gas phase; M |
(C3H9Si+ • ) + = (C3H9Si+ • 2)
By formula: (C3H9Si+ • H2O) + H2O = (C3H9Si+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.9 | kcal/mol | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.1 | cal/mol*K | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
By formula: C3H9Sn+ + H2O = (C3H9Sn+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.7 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.2 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH; Entropy change calculated or estimated; M |
(C3H10N+ • 2) + = (C3H10N+ • • 2)
By formula: (C3H10N+ • 2C3H9N) + H2O = (C3H10N+ • H2O • 2C3H9N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 | kcal/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
By formula: C3H10N+ + H2O = (C3H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.5 | kcal/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
ΔrH° | 14.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 14.5 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C3H10N+ • • ) + = (C3H10N+ • 2 • )
By formula: (C3H10N+ • H2O • C3H9N) + H2O = (C3H10N+ • 2H2O • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 | kcal/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Daly, et al., 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.5 | 225. | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; Entropy change calculated or estimated; M |
(C3H10N+ • ) + = (C3H10N+ • 2)
By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.3 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C3H10N+ • 2) + = (C3H10N+ • 3)
By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.4 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
(C3H10N+ • 3) + = (C3H10N+ • 4)
By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 254. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
By formula: C3H10N+ + H2O = (C3H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrH° | 15.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C3H10N+ • ) + = (C3H10N+ • 2)
By formula: (C3H10N+ • H2O) + H2O = (C3H10N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.4 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C3H10N+ • 2) + = (C3H10N+ • 3)
By formula: (C3H10N+ • 2H2O) + H2O = (C3H10N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C3H10N+ • 3) + = (C3H10N+ • 4)
By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: C3H11N2+ + H2O = (C3H11N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.2 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C3H11O3- + H2O + 2CH4O = C3H13O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.40 ± 0.50 | kcal/mol | TDAs | Meot-Ner(Mautner), 1986 | gas phase; B |
By formula: C4H3O4- + H2O = (C4H3O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C4H3O4- + H2O = (C4H3O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C4H4N- + H2O = (C4H4N- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (C4H4N- • H2O) + H2O = (C4H4N- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: C4H4O+ + H2O = (C4H4O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.8 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H4S+ + H2O = (C4H4S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H5N+ + H2O = (C4H5N+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C4H5N+ • H2O) + H2O = (C4H5N+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15. | cal/mol*K | N/A | Hiraoka, Takimoto, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: C4H5O+ + H2O = (C4H5O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 10.2 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrH° | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrS° | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 382. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
By formula: C4H5O4- + H2O = (C4H5O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C4H5O4- • ) + = (C4H5O4- • 2)
By formula: (C4H5O4- • H2O) + H2O = (C4H5O4- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C4H5O5- + 2H2O = C4H7O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C4H5S+ + H2O = (C4H5S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 10.2 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H6N+ + H2O = (C4H6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 13.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrH° | 16. | kcal/mol | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
ΔrS° | 32. | cal/mol*K | N/A | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 344. | PHPMS | Meot-Ner (Mautner), Ross, et al., 1985 | gas phase; Entropy change calculated or estimated, ΔrH<; M |
By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrH° | 10.9 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Nicol, Sunner, et al., 1988 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H7N2O3- + H2O = C4H9N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.30 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 1.1 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C4H7O2- + H2O = C4H9O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C4H7O2- + H2O = (C4H7O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 ± 1.6 | kcal/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9 | 514. | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C4H7O4- + H2O + 2H2O = C4H9O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.80 ± 0.70 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.18 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: C4H7O5- + 2H2O = C4H9O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C4H8N+ + H2O = (C4H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C4H8N+ + H2O = (C4H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.9 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.3 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C4H8S+ + H2O = (C4H8S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; ΔrH<; M |
By formula: C4H9+ + H2O = (C4H9+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; M |
By formula: (C4H9+ • 2H2O) + H2O = (C4H9+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; may form ((CH3)3COH2+) 2H2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29. | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; may form ((CH3)3COH2+) 2H2O; M |
By formula: (C4H9+ • 3H2O) + H2O = (C4H9+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 3 | gas phase; may form ((CH3)3COH2+) 3H2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.7 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 3 | gas phase; may form ((CH3)3COH2+) 3H2O; M |
By formula: C4H9O+ + H2O = (C4H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C4H9O+ • H2O) + H2O = (C4H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H9O- + H2O = (C4H9O- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 ± 1.0 | kcal/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.0 ± 1.9 | kcal/mol | IMRE | Meot-Ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.3 | 505. | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: C4H9O3- + 3H2O = C4H11O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.60 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C4H9O5- + H2O + 3H2O = C4H11O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 ± 0.60 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.91 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: C4H9S+ + H2O = (C4H9S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: (C4H9S+ • H2O) + H2O = (C4H9S+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H10N+ + H2O = (C4H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
(C4H10N+ • ) + = (C4H10N+ • 2)
By formula: (C4H10N+ • H2O) + H2O = (C4H10N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C4H10NO+ + H2O = (C4H10NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 16.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C4H10NO+ • ) + = (C4H10NO+ • 2)
By formula: (C4H10NO+ • H2O) + H2O = (C4H10NO+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C4H10NO+ • 2) + = (C4H10NO+ • 3)
By formula: (C4H10NO+ • 2H2O) + H2O = (C4H10NO+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C4H10NO+ • 3) + = (C4H10NO+ • 4)
By formula: (C4H10NO+ • 3H2O) + H2O = (C4H10NO+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 268. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • ) + = (C4H11O2+ • • )
By formula: (C4H11O2+ • C4H10O2) + H2O = (C4H11O2+ • H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C4H11O2+ + H2O = (C4H11O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • • ) + = (C4H11O2+ • 2 • )
By formula: (C4H11O2+ • H2O • C4H10O2) + H2O = (C4H11O2+ • 2H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • • 2) + = (C4H11O2+ • 2 • 2)
By formula: (C4H11O2+ • H2O • 2C4H10O2) + H2O = (C4H11O2+ • 2H2O • 2C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 2 • ) + = (C4H11O2+ • 3 • )
By formula: (C4H11O2+ • 2H2O • C4H10O2) + H2O = (C4H11O2+ • 3H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 2 • 2) + = (C4H11O2+ • 3 • 2)
By formula: (C4H11O2+ • 2H2O • 2C4H10O2) + H2O = (C4H11O2+ • 3H2O • 2C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • 3 • ) + = (C4H11O2+ • 4 • )
By formula: (C4H11O2+ • 3H2O • C4H10O2) + H2O = (C4H11O2+ • 4H2O • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9 | 225. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C4H11O2+ • ) + = (C4H11O2+ • 2)
By formula: (C4H11O2+ • H2O) + H2O = (C4H11O2+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 2) + = (C4H11O2+ • 3)
By formula: (C4H11O2+ • 2H2O) + H2O = (C4H11O2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 3) + = (C4H11O2+ • 4)
By formula: (C4H11O2+ • 3H2O) + H2O = (C4H11O2+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C4H11O2+ • 4) + = (C4H11O2+ • 5)
By formula: (C4H11O2+ • 4H2O) + H2O = (C4H11O2+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C4H11O4- + 3H2O = C4H13O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.10 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: C4H11O6- + H2O + 3H2O = C4H13O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.44 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: C4H13N2+ + H2O = (C4H13N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C5H5- + H2O = (C5H5- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.1 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988, 2 | gas phase; B |
By formula: (C5H5- • H2O) + H2O = (C5H5- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | PHPMS | Meot-ner, 1988, 2 | gas phase; M |
By formula: C5H5ClN+ + H2O = (C5H5ClN+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 400. | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C5H5N2O2+ + H2O = (C5H5N2O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 400. | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C5H6N+ + H2O = (C5H6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
ΔrH° | 15.0 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
ΔrS° | 25.5 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: (C5H6N+ • H2O) + H2O = (C5H6N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: (C5H6N+ • 2H2O) + H2O = (C5H6N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C5H6O4-2 + H2O = (C5H6O4-2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C5H6O4-2 • ) + = (C5H6O4-2 • 2)
By formula: (C5H6O4-2 • H2O) + H2O = (C5H6O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
By formula: C5H7O4- + H2O = (C5H7O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C5H7O4- • ) + = (C5H7O4- • 2)
By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C5H7O4- • ) + = (C5H7O4- • 2)
By formula: (C5H7O4- • H2O) + H2O = (C5H7O4- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C5H7O4-2 + H2O = C5H9O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H8NO2- + H2O = C5H10NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.40 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.60 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
C5H9N2O3- + = C5H11N2O4-
By formula: C5H9N2O3- + H2O = C5H11N2O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.40 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C5H9O+ + H2O = (C5H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C5H9O+ • H2O) + H2O = (C5H9O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C5H9O+ • 2H2O) + H2O = (C5H9O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (C5H9O+ • 3H2O) + H2O = (C5H9O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 284. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (C5H9O+ • 4H2O) + H2O = (C5H9O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 281. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: C5H9O5- + 2H2O = C5H11O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H9O5- + 2H2O = C5H11O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C5H10NO2+ + H2O = (C5H10NO2+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
ΔrH° | 18.9 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.8 | cal/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
ΔrS° | 36.8 | cal/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
By formula: C5H10NO2- + H2O = C5H12NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.30 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.70 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
+ = C5H12NO3S-
By formula: C5H10NO2S- + H2O = C5H12NO3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.10 ± 0.80 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C5H11O+ + H2O = (C5H11O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.5 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
(C5H11O+ • ) + = (C5H11O+ • 2)
By formula: (C5H11O+ • H2O) + H2O = (C5H11O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Hiraoka, Takimoto, et al., 1987 | gas phase; M |
By formula: C5H12NO2+ + H2O = (C5H12NO2+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.3 | cal/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; Entropy change is questionable; M |
By formula: C5H15N2+ + H2O = (C5H15N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C5H16N2+2 + H2O = (C5H16N2+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | N/A | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
(C5H16N2+2 • ) + = (C5H16N2+2 • 2)
By formula: (C5H16N2+2 • H2O) + H2O = (C5H16N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | N/A | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; Entropy change calculated or estimated; M |
By formula: C6F6- + H2O = C6H2F6O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.30 | kcal/mol | N/A | Eustis, Wang, et al., 2007 | gas phase; Vertical Detachment Energy: 1.78±0.02 eV. EA is not adiabatic, just threshhold; B |
By formula: C6H2F6O- + 2H2O = C6H4F6O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.46 | kcal/mol | N/A | Eustis, Wang, et al., 2007 | gas phase; Vertical Detachment Energy: 1.93±0.03 eV. EA is not adiabatic, just threshhold; B |
By formula: C6H5NO2- + H2O = (C6H5NO2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.50 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.00 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
(C6H5NO2- • ) + = (C6H5NO2- • 2)
By formula: (C6H5NO2- • H2O) + H2O = (C6H5NO2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.40 ± 0.10 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.00 ± 0.40 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
By formula: C6H5N2+ + H2O = (C6H5N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0 | 400. | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C6H5N2+ + H2O = (C6H5N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
(C6H5N2+ • ) + = (C6H5N2+ • 2)
By formula: (C6H5N2+ • H2O) + H2O = (C6H5N2+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
(C6H5N2+ • 2) + = (C6H5N2+ • 3)
By formula: (C6H5N2+ • 2H2O) + H2O = (C6H5N2+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
(C6H5N2+ • 3) + = (C6H5N2+ • 4)
By formula: (C6H5N2+ • 3H2O) + H2O = (C6H5N2+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.2 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C6H5O- + H2O = (C6H5O- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 | kcal/mol | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
+ = C6H7O2-
By formula: C6H5O- + H2O = C6H7O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.2 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: C6H5S- + H2O = (C6H5S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
+ = C6H7OS-
By formula: C6H5S- + H2O = C6H7OS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.40 ± 0.20 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.60 ± 0.70 | kcal/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.9 | 436. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.8 | 443. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H6ClO+ + H2O = (C6H6ClO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.2 | 453. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 427. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 427. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H6NO3+ + H2O = (C6H6NO3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.8 | 427. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H7+ + H2O = (C6H7+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; switching reaction(H3O+)H2O, ΔrH<; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: C6H7ClN+ + H2O = (C6H7ClN+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H7FN+ + H2O = (C6H7FN+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.9 | 454. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H7O2+ + H2O = (C6H7O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 454. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C6H7O4S- + 2H2O = C6H9O5S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C6H8N+ + H2O = (C6H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C6H8N+ + H2O = (C6H8N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.6 | 434. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 400. | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C6H8NO+ + H2O = (C6H8NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H8O4-2 + H2O = (C6H8O4-2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.1 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C6H8O4-2 • ) + = (C6H8O4-2 • 2)
By formula: (C6H8O4-2 • H2O) + H2O = (C6H8O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C6H8O4-2 • 2) + = (C6H8O4-2 • 3)
By formula: (C6H8O4-2 • 2H2O) + H2O = (C6H8O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C6H8O4-2 • 3) + = (C6H8O4-2 • 4)
By formula: (C6H8O4-2 • 3H2O) + H2O = (C6H8O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C6H8O4-2 • 4) + = (C6H8O4-2 • 5)
By formula: (C6H8O4-2 • 4H2O) + H2O = (C6H8O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C6H8O4-2 • 5) + = (C6H8O4-2 • 6)
By formula: (C6H8O4-2 • 5H2O) + H2O = (C6H8O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.4 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring protonated; M |
By formula: C6H9N2+ + H2O = (C6H9N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.4 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C6H9O4- + H2O = (C6H9O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C6H9O4- • ) + = (C6H9O4- • 2)
By formula: (C6H9O4- • H2O) + H2O = (C6H9O4- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C6H9O4-2 + H2O = C6H11O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C6H11O5- + 2H2O = C6H13O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C6H11O6- + 2H2O + 2H2O = C6H13O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.10 ± 0.40 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.78 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: C6H12NO3+ + H2O = (C6H12NO3+ • H2O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C6H12NO3+ • ) + = (C6H12NO3+ • 2)
By formula: (C6H12NO3+ • H2O) + H2O = (C6H12NO3+ • 2H2O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
(C6H12NO3+ • 2) + = (C6H12NO3+ • 3)
By formula: (C6H12NO3+ • 2H2O) + H2O = (C6H12NO3+ • 3H2O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
C6H12N3O4+ + = (C6H12N3O4+ • )
By formula: C6H12N3O4+ + H2O = (C6H12N3O4+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C6H12N3O4+ • ) + = (C6H12N3O4+ • 2)
By formula: (C6H12N3O4+ • H2O) + H2O = (C6H12N3O4+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
C6H13N2O2- + = C6H15N2O3-
By formula: C6H13N2O2- + H2O = C6H15N2O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.60 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.2 ± 1.0 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
C6H13N4O2- + = C6H15N4O3-
By formula: C6H13N4O2- + H2O = C6H15N4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.10 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.40 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C6H13O7- + 2H2O + 2H2O = C6H15O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 ± 0.10 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.35 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
By formula: C6H15Ge+ + H2O = (C6H15Ge+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.9 | kcal/mol | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.6 | cal/mol*K | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
(C6H15Ge+ • ) + = (C6H15Ge+ • 2)
By formula: (C6H15Ge+ • H2O) + H2O = (C6H15Ge+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.8 | cal/mol*K | PHPMS | Stone and Wytenberg, 1987 | gas phase; M |
C6H15N2O2+ + = (C6H15N2O2+ • )
By formula: C6H15N2O2+ + H2O = (C6H15N2O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C6H15O+ + H2O = (C6H15O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O+ • ) + = (C6H15O+ • 2)
By formula: (C6H15O+ • H2O) + H2O = (C6H15O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O+ • 2) + = (C6H15O+ • 3)
By formula: (C6H15O+ • 2H2O) + H2O = (C6H15O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O+ • 3) + = (C6H15O+ • 4)
By formula: (C6H15O+ • 3H2O) + H2O = (C6H15O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O+ • 4) + = (C6H15O+ • 5)
By formula: (C6H15O+ • 4H2O) + H2O = (C6H15O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O+ • 5) + = (C6H15O+ • 6)
By formula: (C6H15O+ • 5H2O) + H2O = (C6H15O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 234. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
(C6H15O3+ • ) + = (C6H15O3+ • • )
By formula: (C6H15O3+ • C6H14O3) + H2O = (C6H15O3+ • H2O • C6H14O3)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
By formula: C6H15O3+ + H2O = (C6H15O3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O3+ • ) + = (C6H15O3+ • 2)
By formula: (C6H15O3+ • H2O) + H2O = (C6H15O3+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; M |
(C6H15O3+ • 2) + = (C6H15O3+ • 3)
By formula: (C6H15O3+ • 2H2O) + H2O = (C6H15O3+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; DG<=, ΔrH<=, (ΔrS); M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; DG<=, ΔrH<=, (ΔrS); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.8 | 257. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1994 | gas phase; DG<=, ΔrH<=, (ΔrS); M |
By formula: C6H15S+ + H2O = (C6H15S+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: C6H16N+ + H2O = (C6H16N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C6H16N+ + H2O = (C6H16N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
By formula: C6H17N2+ + H2O = (C6H17N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C6H18N2+2 + H2O = (C6H18N2+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C6H18N2+2 • ) + = (C6H18N2+2 • 2)
By formula: (C6H18N2+2 • H2O) + H2O = (C6H18N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
By formula: C7H5O2- + H2O = (C7H5O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C7H5O2- • H2O) + H2O = (C7H5O2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (C7H5O2- • 2H2O) + H2O = (C7H5O2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: C7H6N+ + H2O = (C7H6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C7H6NO+ + H2O = (C7H6NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.7 | 426. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C7H7F3N+ + H2O = (C7H7F3N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C7H7N2+ + H2O = (C7H7N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.8 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; M |
By formula: C7H7O2+ + H2O = (C7H7O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.7 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; data from graph; M |
By formula: C7H7O3+ + H2O = (C7H7O3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 452. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C7H9O+ + H2O = (C7H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 454. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C7H9O+ + H2O = (C7H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 447. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C7H9O+ + H2O = (C7H9O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.4 | 447. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C7H10N+ + H2O = (C7H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C7H10N+ + H2O = (C7H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
By formula: C7H10NO+ + H2O = (C7H10NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.8 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
By formula: C7H10O4-2 + H2O = (C7H10O4-2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C7H10O4-2 • ) + = (C7H10O4-2 • 2)
By formula: (C7H10O4-2 • H2O) + H2O = (C7H10O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C7H10O4-2 • 2) + = (C7H10O4-2 • 3)
By formula: (C7H10O4-2 • 2H2O) + H2O = (C7H10O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C7H10O4-2 • 3) + = (C7H10O4-2 • 4)
By formula: (C7H10O4-2 • 3H2O) + H2O = (C7H10O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C7H10O4-2 • 4) + = (C7H10O4-2 • 5)
By formula: (C7H10O4-2 • 4H2O) + H2O = (C7H10O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C7H10O4-2 • 5) + = (C7H10O4-2 • 6)
By formula: (C7H10O4-2 • 5H2O) + H2O = (C7H10O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
By formula: C7H11N2+ + H2O = (C7H11N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 | kcal/mol | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Davidson, Sunner J., et al., 1979 | gas phase; M |
By formula: C7H11O+ + H2O = (C7H11O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C7H11O+ • ) + = (C7H11O+ • 2)
By formula: (C7H11O+ • H2O) + H2O = (C7H11O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C7H11O+ • 2) + = (C7H11O+ • 3)
By formula: (C7H11O+ • 2H2O) + H2O = (C7H11O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
(C7H11O+ • 3) + = (C7H11O+ • 4)
By formula: (C7H11O+ • 3H2O) + H2O = (C7H11O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 269. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: C7H11O4-2 + H2O = (C7H11O4-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C7H11O4-2 + H2O = C7H13O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C7H15O2+ + H2O = (C7H15O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | HPMS | Field, 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12. | cal/mol*K | HPMS | Field, 1969 | gas phase; Entropy change is questionable; M |
By formula: C7H17O4S- + 2H2O = C7H19O5S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C7H19N2+ + H2O = (C7H19N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C7H22+2 + H2O = (C7H22+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C7H22+2 • ) + = (C7H22+2 • 2)
By formula: (C7H22+2 • H2O) + H2O = (C7H22+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.7 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C7H22+2 • 2) + = (C7H22+2 • 3)
By formula: (C7H22+2 • 2H2O) + H2O = (C7H22+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 3) + = (C7H22+2 • 4)
By formula: (C7H22+2 • 3H2O) + H2O = (C7H22+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 4) + = (C7H22+2 • 5)
By formula: (C7H22+2 • 4H2O) + H2O = (C7H22+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C7H22+2 • 5) + = (C7H22+2 • 6)
By formula: (C7H22+2 • 5H2O) + H2O = (C7H22+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C8H4O4- + H2O = (C8H4O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H4O4-2 • 2) + = (C8H4O4-2 • 3)
By formula: (C8H4O4-2 • 2H2O) + H2O = (C8H4O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H4O4-2 • 3) + = (C8H4O4-2 • 4)
By formula: (C8H4O4-2 • 3H2O) + H2O = (C8H4O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H4O4-2 • 4) + = (C8H4O4-2 • 5)
By formula: (C8H4O4-2 • 4H2O) + H2O = (C8H4O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H4O4-2 • 5) + = (C8H4O4-2 • 6)
By formula: (C8H4O4-2 • 5H2O) + H2O = (C8H4O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.9 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C8H5O4- + H2O = (C8H5O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C8H5O4-2 + H2O = C8H7O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: C8H10O7-2 + 4H2O = C8H12O8-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C8H11O+ + H2O = (C8H11O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.2 | 455. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C8H11O+ + H2O = (C8H11O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9 | 453. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C8H11O+ + H2O = (C8H11O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 455. | PHPMS | Martinsen and Buttrill, 1978 | gas phase; M |
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 434. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | PHPMS | Buttrill, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Buttrill, 1983 | gas phase; M |
By formula: C8H12O4-2 + H2O = (C8H12O4-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H12O4-2 • ) + = (C8H12O4-2 • 2)
By formula: (C8H12O4-2 • H2O) + H2O = (C8H12O4-2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.1 ± 4.2 | kcal/mol | N/A | Ding, Wang, et al., 1998 | gas phase; Affinity is EA difference from next lower solvated ion.; B |
(C8H12O4-2 • 2) + = (C8H12O4-2 • 3)
By formula: (C8H12O4-2 • 2H2O) + H2O = (C8H12O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 3) + = (C8H12O4-2 • 4)
By formula: (C8H12O4-2 • 3H2O) + H2O = (C8H12O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 4) + = (C8H12O4-2 • 5)
By formula: (C8H12O4-2 • 4H2O) + H2O = (C8H12O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
(C8H12O4-2 • 5) + = (C8H12O4-2 • 6)
By formula: (C8H12O4-2 • 5H2O) + H2O = (C8H12O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B,M |
By formula: C8H12O8-2 + 5H2O = C8H14O9-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C8H13O4-2 + H2O = C8H15O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C8H14O9-2 + 6 = C8H16O10-2
By formula: C8H14O9-2 + 6H2O = C8H16O10-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C8H15O8- + 3H2O + H2O = C8H17O9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.9 ± 1.0 | kcal/mol | N/A | Meot-ner, Elmore, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.64 | kcal/mol | TDAs | Meot-ner, Elmore, et al., 1999 | gas phase; B |
C8H18N3O3+ + = (C8H18N3O3+ • )
By formula: C8H18N3O3+ + H2O = (C8H18N3O3+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C8H20N+ + H2O = (C8H20N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.5 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H20N+ • ) + = (C8H20N+ • 2)
By formula: (C8H20N+ • H2O) + H2O = (C8H20N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.1 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C8H20N+ • 2) + = (C8H20N+ • 3)
By formula: (C8H20N+ • 2H2O) + H2O = (C8H20N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C8H21N2+ + H2O = (C8H21N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C8H22N2+2 + H2O = (C8H22N2+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C8H22N2+2 • ) + = (C8H22N2+2 • 2)
By formula: (C8H22N2+2 • H2O) + H2O = (C8H22N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C8H22N2+2 • 2) + = (C8H22N2+2 • 3)
By formula: (C8H22N2+2 • 2H2O) + H2O = (C8H22N2+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 3) + = (C8H22N2+2 • 4)
By formula: (C8H22N2+2 • 3H2O) + H2O = (C8H22N2+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 4) + = (C8H22N2+2 • 5)
By formula: (C8H22N2+2 • 4H2O) + H2O = (C8H22N2+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C8H22N2+2 • 5) + = (C8H22N2+2 • 6)
By formula: (C8H22N2+2 • 5H2O) + H2O = (C8H22N2+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C9H10NO2- + H2O = C9H12NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.50 ± 0.40 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C9H11O2+ + H2O = (C9H11O2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Field, 1969 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 12. | cal/mol*K | HPMS | Field, 1969 | gas phase; Entropy change is questionable; M |
By formula: C9H12NO+ + H2O = (C9H12NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
By formula: C9H14N+ + H2O = (C9H14N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.8 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C9H14N+ + H2O = (C9H14N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 27.15 cal/mol*K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 27.15 cal/mol*K; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.3 | 394. | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; (H), ΔrS should be 27.15 cal/mol*K; M |
By formula: C9H14O4-2 + H2O = (C9H14O4-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C9H14O4-2 • 2) + = (C9H14O4-2 • 3)
By formula: (C9H14O4-2 • 2H2O) + H2O = (C9H14O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C9H14O4-2 • 3) + = (C9H14O4-2 • 4)
By formula: (C9H14O4-2 • 3H2O) + H2O = (C9H14O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.9 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C9H14O4-2 • 4) + = (C9H14O4-2 • 5)
By formula: (C9H14O4-2 • 4H2O) + H2O = (C9H14O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.9 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C9H14O4-2 • 5) + = (C9H14O4-2 • 6)
By formula: (C9H14O4-2 • 5H2O) + H2O = (C9H14O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C9H20O7-2 + 4H2O = C9H22O8-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C9H22N+ + H2O = (C9H22N+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.2 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C9H22O8-2 + 5H2O = C9H24O9-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C9H24N2+2 + H2O = (C9H24N2+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C9H24N2+2 • ) + = (C9H24N2+2 • 2)
By formula: (C9H24N2+2 • H2O) + H2O = (C9H24N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
C9H24O9-2 + 6 = C9H26O10-2
By formula: C9H24O9-2 + 6H2O = C9H26O10-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C10H6O6S2-2 + = (C10H6O6S2-2 • )
By formula: C10H6O6S2-2 + H2O = (C10H6O6S2-2 • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H6O6S2-2 • ) + = (C10H6O6S2-2 • 2)
By formula: (C10H6O6S2-2 • H2O) + H2O = (C10H6O6S2-2 • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H6O6S2-2 • 2) + = (C10H6O6S2-2 • 3)
By formula: (C10H6O6S2-2 • 2H2O) + H2O = (C10H6O6S2-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H6O6S2-2 • 3) + = (C10H6O6S2-2 • 4)
By formula: (C10H6O6S2-2 • 3H2O) + H2O = (C10H6O6S2-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
C10H8O7S2-2 + 2 = C10H10O8S2-2
By formula: C10H8O7S2-2 + 2H2O = C10H10O8S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C10H10O8S2-2 + 3 = C10H12O9S2-2
By formula: C10H10O8S2-2 + 3H2O = C10H12O9S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C10H12O9S2-2 + 4 = C10H14O10S2-2
By formula: C10H12O9S2-2 + 4H2O = C10H14O10S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
(C10H16O4-2 • 2) + = (C10H16O4-2 • 3)
By formula: (C10H16O4-2 • 2H2O) + H2O = (C10H16O4-2 • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.4 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H16O4-2 • 3) + = (C10H16O4-2 • 4)
By formula: (C10H16O4-2 • 3H2O) + H2O = (C10H16O4-2 • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H16O4-2 • 4) + = (C10H16O4-2 • 5)
By formula: (C10H16O4-2 • 4H2O) + H2O = (C10H16O4-2 • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
(C10H16O4-2 • 5) + = (C10H16O4-2 • 6)
By formula: (C10H16O4-2 • 5H2O) + H2O = (C10H16O4-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: C10H17O4- + H2O = (C10H17O4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
C10H19N5O13P2-2 + 4 = C10H21N5O14P2-2
By formula: C10H19N5O13P2-2 + 4H2O = C10H21N5O14P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996, 3 | gas phase; Correction to published article: P. Kebarle; B |
By formula: C10H21O5+ + H2O = (C10H21O5+ • H2O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.6 | kcal/mol | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.0 | cal/mol*K | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
C10H22O7-2 + 4 = C10H24O8-2
By formula: C10H22O7-2 + 4H2O = C10H24O8-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C10H24O8-2 + 5 = C10H26O9-2
By formula: C10H24O8-2 + 5H2O = C10H26O9-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: C10H25N2+ + H2O = (C10H25N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
C10H26N2+2 + = (C10H26N2+2 • )
By formula: C10H26N2+2 + H2O = (C10H26N2+2 • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C10H26N2+2 • ) + = (C10H26N2+2 • 2)
By formula: (C10H26N2+2 • H2O) + H2O = (C10H26N2+2 • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
(C10H26N2+2 • 2) + = (C10H26N2+2 • 3)
By formula: (C10H26N2+2 • 2H2O) + H2O = (C10H26N2+2 • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.4 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 3) + = (C10H26N2+2 • 4)
By formula: (C10H26N2+2 • 3H2O) + H2O = (C10H26N2+2 • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 4) + = (C10H26N2+2 • 5)
By formula: (C10H26N2+2 • 4H2O) + H2O = (C10H26N2+2 • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
(C10H26N2+2 • 5) + = (C10H26N2+2 • 6)
By formula: (C10H26N2+2 • 5H2O) + H2O = (C10H26N2+2 • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
C10H26O9-2 + 6 = C10H28O10-2
By formula: C10H26O9-2 + 6H2O = C10H28O10-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
C10H27N5O17P2-2 + 8 = C10H29N5O18P2-2
By formula: C10H27N5O17P2-2 + 8H2O = C10H29N5O18P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.40 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996, 3 | gas phase; Correction to published article: P. Kebarle; B |
+ = C11H13N2O3-
By formula: C11H11N2O2- + H2O = C11H13N2O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.80 ± 0.50 | kcal/mol | N/A | Wincel, 2008 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.90 ± 0.90 | kcal/mol | TDAs | Wincel, 2008 | gas phase; B |
By formula: C11H18N+ + H2O = (C11H18N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.1 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C12H25O6+ + H2O = (C12H25O6+ • H2O)
Bond type: Hydrogen bonds with polydentate bonding in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.4 | kcal/mol | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.6 | cal/mol*K | PHPMS | Sharma and Kebarle, 1984 | gas phase; M |
By formula: C12H28N+ + H2O = (C12H28N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.4 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: C12H29N2+ + H2O = (C12H29N2+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: C13H9N- + H2O = C13H11NO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.5 ± 1.5 | kcal/mol | N/A | Kokubo, Ando, et al., 2004 | gas phase; B |
By formula: C13H22N+ + H2O = (C13H22N+ • H2O)
Bond type: Hydrogen bonds with steric hindrance in positive ions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41. | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: Ca+ + H2O = (Ca+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
By formula: (Ca+ • H2O) + H2O = (Ca+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24. | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
By formula: (Ca+ • 2H2O) + H2O = (Ca+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
By formula: (Ca+ • 3H2O) + H2O = (Ca+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.7 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
By formula: (Ca+ • 4H2O) + H2O = (Ca+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.5 | kcal/mol | HPMS | Kochanski and Constantin, 1987 | gas phase; M |
By formula: (Ca+2 • 8H2O) + H2O = (Ca+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ca+2 • 9H2O) + H2O = (Ca+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.7 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ca+2 • 10H2O) + H2O = (Ca+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ca+2 • 11H2O) + H2O = (Ca+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Cl- • CH4O) + H2O = (Cl- • H2O • CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.9 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (Cl- • 2CH4O) + H2O = (Cl- • H2O • 2CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.7 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 11. | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (Cl- • HCl) + H2O = (Cl- • H2O • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: (Cl- • 2HCl) + H2O = (Cl- • H2O • 2HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.2 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in Keesee and Castleman, 1986; M |
By formula: Cl- + H2O = (Cl- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 5. | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19. ± 3. | cal/mol*K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9. ± 4. | kcal/mol | AVG | N/A | Average of 9 values; Individual data points |
By formula: (Cl- • H2O • CH4O) + H2O = (Cl- • 2H2O • CH4O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (Cl- • H2O • HCl) + H2O = (Cl- • 2H2O • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in 86 KEE/CAS; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | HPMS | Upschulte, Evans, et al., 1986 | gas phase; deuterated, quoted in 86 KEE/CAS; M |
By formula: (Cl- • H2O) + H2O = (Cl- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 1. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.5 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 6.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 6.5 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 6.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.7 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (Cl- • 2H2O) + H2O = (Cl- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 22.4 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 23.2 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
By formula: (Cl- • 3H2O) + H2O = (Cl- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 9.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 10.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrH° | 10.90 ± 0.70 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 25.8 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 3.50 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 3.40 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.0 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Cl- • 4H2O) + H2O = (Cl- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 6.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 9.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 2.9 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Cl- • 5H2O) + H2O = (Cl- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 8.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 8.8 ± 0.4 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 6H2O) + H2O = (Cl- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
ΔrH° | 6.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 8.1 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: (Cl- • H2O • O2S) + H2O = (Cl- • 2H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.40 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: (Cl- • O2S) + H2O = (Cl- • H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; From thermochemical cycle,switching reaction(H2O/SO2); M |
By formula: (Cl- • 2O2S) + H2O = (Cl- • H2O • 2O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.90 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 | kcal/mol | TDAs | Upschulte, Schelling, et al., 1984 | gas phase; B |
By formula: ClO2- + H2O = (ClO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.50 | kcal/mol | Ther | Tschurl and Boesl, 2007 | gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B |
ΔrH° | 16.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: ClO3- + H2O = (ClO3- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: (ClO3- • H2O) + H2O = (ClO3- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: ClO3- + H2O = (ClO3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (ClO3- • H2O) + H2O = (ClO3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: ClO4- + H2O = (ClO4- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: Co+ + H2O = (Co+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 40.1 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38.5 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Co+ • H2O) + H2O = (Co+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.9 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38.7 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Co+ • 2H2O) + H2O = (Co+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.5 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Co+ • 3H2O) + H2O = (Co+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.9 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Co+2 • 9H2O) + H2O = (Co+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.5 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Co+2 • 10H2O) + H2O = (Co+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.7 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Co+2 • 11H2O) + H2O = (Co+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: Cr+ + H2O = (Cr+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 21.9 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30.8 (+2.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cr+ • H2O) + H2O = (Cr+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.5 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
33.9 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cr+ • 2H2O) + H2O = (Cr+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12. (+12.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cr+ • 3H2O) + H2O = (Cr+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.2 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Cs+ + H2O = (Cs+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 13.7 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.3 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 19.4 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (Cs+ • H2O) + H2O = (Cs+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 12.5 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.6 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.0 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cs+ • 2H2O) + H2O = (Cs+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 11.2 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.6 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 23.7 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: (Cs+ • 3H2O) + H2O = (Cs+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.4 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (Cs+ • H2O • O2S) + H2O = (Cs+ • 2H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.3 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electeric fields; M |
By formula: Cu+ + H2O = (Cu+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
ΔrH° | 35. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 35. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
37.5 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • H2O) + H2O = (Cu+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
ΔrH° | 39. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.6 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • 2H2O) + H2O = (Cu+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
ΔrH° | 16.4 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.6 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • 3H2O) + H2O = (Cu+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
ΔrH° | 16.7 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.2 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.9 (+1.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Cu+ • 4H2O) + H2O = (Cu+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: F- + H2O = (F- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.40 ± 0.50 | kcal/mol | TDAs | Weis, Kemper, et al., 1999 | gas phase; B |
ΔrH° | 23.30 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.90 ± 0.50 | kcal/mol | TDAs | Weis, Kemper, et al., 1999 | gas phase; B |
ΔrG° | 18.1 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (F- • H2O) + H2O = (F- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.20 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M |
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 16.6 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 18.7 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.5 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrG° | 11.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 11.00 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (F- • 2H2O) + H2O = (F- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.30 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 13.7 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.6 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 7.60 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
By formula: (F- • 3H2O) + H2O = (F- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.90 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 26.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (F- • 4H2O) + H2O = (F- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.30 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.2 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 30.7 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.5 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.6 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (F- • 5H2O) + H2O = (F- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.90 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 6H2O) + H2O = (F- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.6 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 7H2O) + H2O = (F- • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; 0.4; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 8H2O) + H2O = (F- • 9H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.3 ± 2.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (F- • 9H2O) + H2O = (F- • 10H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: Fe+ + H2O = (Fe+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 32.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30.6 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • H2O) + H2O = (Fe+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
39.2 (+1.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • 2H2O) + H2O = (Fe+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.2 (+1.0,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • 3H2O) + H2O = (Fe+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: H- + H2O = (H- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.7 ± 2.0 | kcal/mol | N/A | Miller, Leopold, et al., 1985 | gas phase; EA given is Vertical Detachment Energy. Est. Adiabatic: 1.40 eV, 32.3 kcal/mol; B |
ΔrH° | 17.3 ± 3.5 | kcal/mol | Ther | Paulson and Henchman, 1984 | gas phase; HOH..HO- + H2 ->. See also Griffiths and Harris, 1989; B,M |
ΔrH° | 13.80 | kcal/mol | CIDT | Paulson and Henchman, 1982 | gas phase; B |
By formula: HCaO+ + H2O = (HCaO+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.4 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
By formula: HO- + H2O = (HO- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. ± 7. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.2 ± 1.0 | kcal/mol | TDAs | Paul and Kebarle, 1990 | gas phase; B |
ΔrG° | 20.1 ± 1.6 | kcal/mol | TDEq | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 20.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrG° | 18.60 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (HO- • H2O) + H2O = (HO- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrH° | 17.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.2 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
ΔrG° | 11.60 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.1 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 16.2 ± 1.0 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.0 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.00 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.7 ± 1.4 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.50 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.3 ± 1.4 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.20 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.2 ± 1.4 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.2 ± 1.4 | kcal/mol | N/A | Meot-Ner (Mautner) and Speller, 1986 | gas phase; B |
By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; Entropy estimated; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.6 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) and Speller, 1986 | gas phase; Entropy estimated; B |
By formula: HO- + H2O = (HO- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.0 ± 0.9 | kcal/mol | AVG | N/A | Average of 3 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.1 | cal/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (HO- • H2O) + H2O = (HO- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 18. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
ΔrH° | 17.9 | kcal/mol | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrH° | 16.4 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
ΔrH° | 23. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 15.1 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
ΔrH° | 18. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 14.2 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 29.5 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 14.1 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 33.2 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9 | 245. | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
By formula: HOSr+ + H2O = (HOSr+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.9 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: HO4S- + H2O = (HO4S- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (HO4S- • H2O) + H2O = (HO4S- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
(HO4S- • • 3) + = (HO4S- • 2 • 3)
By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.1 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 3H2O4S) + H2O = (HO4S- • H2O • 3H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (HO4S- • 4H2O4S) + H2O = (HO4S- • H2O • 4H2O4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: HS- + H2O = (HS- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
ΔrH° | 14.2 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.6 ± 2.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (HS- • H2O) + H2O = (HS- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrH° | 12.6 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: (HS- • 2H2O) + H2O = (HS- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrH° | 11.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
ΔrS° | 23.5 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
By formula: H2BrO4- + 2H2O = H4BrO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H2IO4- + 2H2O = H4IO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H2N3O- + 2H2O = H4N3O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. ± 93. | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.78±0.06 eV; B |
By formula: H2O+ + H2O = (H2O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kcal/mol | PI | Ng, Trevor, et al., 1977 | gas phase; ΔrH>; M |
By formula: H2O2- + 2H2O = H4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 ± 1.8 | kcal/mol | LPES | Clements, Luong, et al., 2001 | gas phase; B |
By formula: H2O3- + C5H5N + H2O = C5H7NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.7 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: H2O3- + C10H8 + H2O = C10H10O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.8 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: H2O3P- + H2O = (H2O3P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (H2O3P- • H2O) + H2O = (H2O3P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (H2O3P- • 2H2O) + H2O = (H2O3P- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.2 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: H2O4P- + H2O = (H2O4P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.7 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrG° | 7.6 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (H2O4P- • H2O) + H2O = (H2O4P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.1 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrG° | 6.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (H2O4P- • 2H2O) + H2O = (H2O4P- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.8 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: H2O7S4-2 + 2H2O = H4O8S4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H3O+ + H2O = (H3O+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. ± 2. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 7. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ • H2O) + H2O = (H3O+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20. ± 1. | kcal/mol | AVG | N/A | Average of 7 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. ± 4. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.6 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ • 2H2O) + H2O = (H3O+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 0.9 | kcal/mol | AVG | N/A | Average of 9 out of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 2. | cal/mol*K | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.4 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.1 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
9.2 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
8.4 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
8.3 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
By formula: (H3O+ • 3H2O) + H2O = (H3O+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 4. | kcal/mol | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 5. | cal/mol*K | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 | kcal/mol | FA | Bierbaum, Golde, et al., 1976 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
5.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
5.0 | 300. | PHPMS | Good, Durden, et al., 1970 | gas phase; M |
5.0 | 307. | PHPMS | Good, Durden, et al., 1970, 2 | gas phase; M |
7.0 | 300. | HPMS | Arifov, Pozharov, et al., 1971 | gas phase; M |
By formula: (H3O+ • 4H2O) + H2O = (H3O+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 2. | kcal/mol | AVG | N/A | Average of 5 out of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 4. | cal/mol*K | AVG | N/A | Average of 4 out of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: (H3O+ • 5H2O) + H2O = (H3O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | PHPMS | Lau, Ikuta, et al., 1982 | gas phase; M |
ΔrH° | 11.7 | kcal/mol | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrH° | 16.09 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | PHPMS | Lau, Ikuta, et al., 1982 | gas phase; M |
ΔrS° | 29.6 | cal/mol*K | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrS° | 82.69 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
By formula: (H3O+ • 6H2O) + H2O = (H3O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
ΔrH° | 10.3 | kcal/mol | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrH° | 12.03 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrS° | 52.31 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
By formula: (H3O+ • 7H2O) + H2O = (H3O+ • 8H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.77 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 5.1 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.46 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 8H2O) + H2O = (H3O+ • 9H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.78 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 5.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.92 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 9H2O) + H2O = (H3O+ • 10H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.88 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.77 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 10H2O) + H2O = (H3O+ • 11H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.92 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 11H2O) + H2O = (H3O+ • 12H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.83 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.9 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.62 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 12H2O) + H2O = (H3O+ • 13H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.30 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.92 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 13H2O) + H2O = (H3O+ • 14H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.60 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.8 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 39.85 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 14H2O) + H2O = (H3O+ • 15H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.72 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 40.38 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 15H2O) + H2O = (H3O+ • 16H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.82 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.0 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.15 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 16H2O) + H2O = (H3O+ • 17H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.76 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.6 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.38 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 17H2O) + H2O = (H3O+ • 18H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.75 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.3 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 40.62 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 18H2O) + H2O = (H3O+ • 19H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.66 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 7.0 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 41.00 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 19H2O) + H2O = (H3O+ • 20H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.54 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 9.1 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 39.62 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 20H2O) + H2O = (H3O+ • 21H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.43 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 7.3 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.46 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 21H2O) + H2O = (H3O+ • 22H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.32 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 5.9 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 39.46 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 22H2O) + H2O = (H3O+ • 23H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.45 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.4 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.92 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 23H2O) + H2O = (H3O+ • 24H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.28 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.6 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.46 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 24H2O) + H2O = (H3O+ • 25H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.06 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 7.1 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.16 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 25H2O) + H2O = (H3O+ • 26H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.72 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 6.3 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.85 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 26H2O) + H2O = (H3O+ • 27H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.41 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
ΔrH° | 8.2 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.92 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: (H3O+ • 27H2O) + H2O = (H3O+ • 28H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.06 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.77 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; M |
By formula: H3S+ + H2O = (H3S+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.5 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
By formula: (H3S+ • H2O) + H2O = (H3S+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.3 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3O+ H2O)H2O; Cunningham, Payzant, et al., 1972, Yamdagni and Kebarle, 1976; M |
By formula: (H3S+ • 2H2O) + H2O = (H3S+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.4 | kcal/mol | PI | Walters and Blais, 1984 | gas phase; M |
By formula: (H3S+ • H2S) + H2O = (H3S+ • H2O • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.1 | kcal/mol | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Hiraoka and Kebarle, 1977, 2 | gas phase; From thermochemical cycle,switching reaction(H3S+ H2O)H2O; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984; M |
By formula: H4ClO2- + CH4O + 2H2O = CH8ClO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 ± 0.20 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrH° | 11.40 ± 0.30 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.80 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; B |
ΔrG° | 6.00 | kcal/mol | TDAs | Evans and Keesee, 1991 | gas phase; For solvation by MeOH of core ion; B |
By formula: H4IO5- + 3H2O = H6IO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H4N+ + H2O = (H4N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrH° | 19.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 17.3 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line; M |
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
ΔrH° | 14.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line; M |
ΔrS° | 22.0 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 414. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M |
By formula: (H4N+ • 2H2O) + H2O = (H4N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrH° | 13.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H4N+ • 3H2O) + H2O = (H4N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 12.2 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (H4N+ • 4H2O) + H2O = (H4N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 9.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 5H2O) + H2O = (H4N+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 266. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (H4N+ • 6H2O) + H2O = (H4N+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 254. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
By formula: (H4N+ • H2O • H3N) + H2O = (H4N+ • 2H2O • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • H2O • 2H3N) + H2O = (H4N+ • 2H2O • 2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 2H2O • H3N) + H2O = (H4N+ • 3H2O • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.5 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • H2O • O2S) + H2O = (H4N+ • 2H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.4 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: (H4N+ • 2H2O • O2S) + H2O = (H4N+ • 3H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: (H4N+ • H3N) + H2O = (H4N+ • H2O • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 2H3N) + H2O = (H4N+ • H2O • 2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 3H3N) + H2O = (H4N+ • H2O • 3H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: H4N3O2- + 3H2O = H6N3O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.60 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.25±0.06 eV; B |
By formula: H4O3P- + 2H2O = H6O4P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H4O4- + C10H8 + 2H2O = C10H12O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.3 ± 2.3 | kcal/mol | N/A | Le Barbu, Schiedt, et al., 2002 | gas phase; Affinity is difference in EAs of lesser solvated species; B |
By formula: H4O4P- + 2H2O = H6O5P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H4O5P- + 2H2O = H6O6P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Blades, Ho, et al., 1996 | gas phase; B |
ΔrH° | 13.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.10 ± 0.50 | kcal/mol | TDAs | Blades, Ho, et al., 1996 | gas phase; B |
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H4O8S4-2 + 3H2O = H6O9S4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H4O10S2-2 + 3H2O = H6O11S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H4P+ + H2O = (H4P+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. | kcal/mol | ICR | Berman and Beauchamp, 1986 | gas phase; bracketing; Meot-Ner, 1984, 2, Lias, Liebman, et al., 1984; M |
By formula: H6N3O3- + 4H2O = H8N3O4-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.80 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.63±0.06 eV; B |
By formula: H6O4P- + 3H2O = H8O5P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H6O5P- + 3H2O = H8O6P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H6O6P- + 3H2O = H8O7P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 ± 1.0 | kcal/mol | TDAs | Blades, Ho, et al., 1996, 3 | gas phase; B |
ΔrH° | 11.8 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.1 ± 1.0 | kcal/mol | TDAs | Blades, Ho, et al., 1996, 3 | gas phase; B |
ΔrG° | 4.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
By formula: H6O9S2-2 + 4H2O = H8O10S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H6O9S4-2 + 4H2O = H8O10S4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H6O11S2-2 + 4H2O = H8O12S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H8N3O4- + 5H2O = H10N3O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.70 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change from (H2O)n-1..N3- ion. Vertical Detachment Energy: 4.85±0.06 eV; B |
H8O10S2-2 + 5 = H10O11S2-2
By formula: H8O10S2-2 + 5H2O = H10O11S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H8O10S4-2 + 5 = H10O11S4-2
By formula: H8O10S4-2 + 5H2O = H10O11S4-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H8O12S2-2 + 5 = H10O13S2-2
By formula: H8O12S2-2 + 5H2O = H10O13S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H10N3O5- + 6H2O = H12N3O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.70 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.03±0.08 eV; B |
By formula: H10O8S2-2 + 6H2O = H12O9S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H10O11S2-2 + 6 = H12O12S2-2
By formula: H10O11S2-2 + 6H2O = H12O12S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H10O13S2-2 + 6 = H12O14S2-2
By formula: H10O13S2-2 + 6H2O = H12O14S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.40 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H12N3O6- + 7H2O = H14N3O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.25±0.08 eV; B |
H12O9S2-2 + 7 = H14O10S2-2
By formula: H12O9S2-2 + 7H2O = H14O10S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H12O10S-2 + 7H2O = H14O11S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
ΔrG° | 7.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H12O10Se-2 + 7 = H14O11Se-2
By formula: H12O10Se-2 + 7H2O = H14O11Se-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H12O12P2-2 + 6 = H14O13P2-2
By formula: H12O12P2-2 + 6H2O = H14O13P2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.20 | kcal/mol | IMRE | Blades, Ho, et al., 1996, 3 | gas phase; Correction to published article: P. Kebarle; B |
H12O12S2-2 + 7 = H14O13S2-2
By formula: H12O12S2-2 + 7H2O = H14O13S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H14N3O7- + 8H2O = H16N3O8-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.42±0.08 eV; B |
H14O10S2-2 + 8 = H16O11S2-2
By formula: H14O10S2-2 + 8H2O = H16O11S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H14O11S-2 + 8H2O = H16O12S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.8 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
ΔrG° | 6.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H14O11Se-2 + 8 = H16O12Se-2
By formula: H14O11Se-2 + 8H2O = H16O12Se-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H14O13S2-2 + 8 = H16O14S2-2
By formula: H14O13S2-2 + 8H2O = H16O14S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H16N3O8- + 9H2O = H18N3O9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.20 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.55±0.08 eV; B |
H16O11S2-2 + 9 = H18O12S2-2
By formula: H16O11S2-2 + 9H2O = H18O12S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.30 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H16O12S-2 + 9H2O = H18O13S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
ΔrG° | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
H16O12Se-2 + 9 = H18O13Se-2
By formula: H16O12Se-2 + 9H2O = H18O13Se-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.60 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H18N3O9- + 10H2O = H20N3O10-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.00 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change from (H2O))n-1..N3- ion. Vertical Detachment Energy: 5.65±0.08 eV; B |
H18O12S2-2 + 10 = H20O13S2-2
By formula: H18O12S2-2 + 10H2O = H20O13S2-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.70 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
By formula: H18O13S-2 + 10H2O = H20O14S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.8 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
By formula: H20N3O10- + 11H2O = H22N3O11-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.10 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.70±0.08 eV; B |
By formula: H20O14S-2 + 11H2O = H22O15S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.3 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
By formula: H22N3O11- + 12H2O = H24N3O12-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.70 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.79±0.08 eV; B |
By formula: H24N3O12- + 13H2O = H26N3O13-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.80 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.89±0.08 eV; B |
By formula: H26N3O13- + 14H2O = H28N3O14-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.90 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 5.95±0.08 eV; B |
By formula: H28N3O14- + 15H2O = H30N3O15-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.10 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 6.02±0.08 eV; B |
By formula: H30N3O15- + 16H2O = H32N3O16-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.90 | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 6.07±0.08 eV; B |
By formula: I- + H2O = (I- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 19.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 16.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • H2O) + H2O = (I- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.90 ± 0.20 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 9.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 20.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 19.0 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.1 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (I- • 2H2O) + H2O = (I- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
ΔrH° | 8.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 21.0 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
ΔrS° | 21.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
ΔrG° | 3.10 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (I- • 3H2O) + H2O = (I- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.9 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 2.2 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (I- • 4H2O) + H2O = (I- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
ΔrH° | 4.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
By formula: (I- • 5H2O) + H2O = (I- • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.80 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 6H2O) + H2O = (I- • 7H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.80 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 7H2O) + H2O = (I- • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 8H2O) + H2O = (I- • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.90 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 9H2O) + H2O = (I- • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.40 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 10H2O) + H2O = (I- • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.70 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 11H2O) + H2O = (I- • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.40 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 12H2O) + H2O = (I- • 13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.80 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 13H2O) + H2O = (I- • 14H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 14H2O) + H2O = (I- • 15H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • 15H2O) + H2O = (I- • 16H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
By formula: (I- • O2S) + H2O = (I- • H2O • O2S)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.50 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (K+ • CH4O) + H2O = (K+ • H2O • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.6 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • 2CH4O) + H2O = (K+ • H2O • 2CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.3 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • C6H6) + H2O = (K+ • H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.1 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • 2C6H6) + H2O = (K+ • H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: K+ + H2O = (K+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 19.4 ± 2.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
ΔrH° | 17.9 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 21.3 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
ΔrS° | 21.6 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
0.4 | 840. | MS | Chupka, 1959 | gas phase; Knudsen cell, 840+-50K; M |
By formula: (K+ • H2O • CH4O) + H2O = (K+ • 2H2O • CH4O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | HPMS | Evans and Keesee, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | HPMS | Evans and Keesee, 1991 | gas phase; M |
By formula: (K+ • H2O • C6H6) + H2O = (K+ • 2H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.7 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O • 2C6H6) + H2O = (K+ • 2H2O • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M |
By formula: (K+ • 2H2O • C6H6) + H2O = (K+ • 3H2O • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.8 | kcal/mol | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | HPMS | Sunner, Nishizawa, et al., 1981 | gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M |
By formula: (K+ • H2O) + H2O = (K+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 16.1 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 24.2 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (K+ • 2H2O) + H2O = (K+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 13.2 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 23.0 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (K+ • 3H2O) + H2O = (K+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 11.8 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 24.7 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (K+ • 4H2O) + H2O = (K+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
By formula: (K+ • 5H2O) + H2O = (K+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
By formula: Li+ + H2O = (Li+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.3 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 34. | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; interpolated; M |
By formula: (Li+ • H2O) + H2O = (Li+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.0 ± 2.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 25.8 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (Li+ • 2H2O) + H2O = (Li+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.5 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 17. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
ΔrH° | 20.7 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
ΔrS° | 24.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
By formula: (Li+ • 3H2O) + H2O = (Li+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 16.4 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.8 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Li+ • 4H2O) + H2O = (Li+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 13.9 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 12. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.4 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Li+ • 5H2O) + H2O = (Li+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 12.1 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.0 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: Mg+ + H2O = (Mg+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 ± 3.0 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 (+3.0,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Mg+ (3s1); M |
By formula: (Mg+ • H2O) + H2O = (Mg+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.3 ± 1.6 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.4 (+1.6,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Mg+ (3s1); M |
By formula: (Mg+ • 2H2O) + H2O = (Mg+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 ± 2.1 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.3 (+2.1,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Mg+ (3s1); M |
By formula: (Mg+ • 3H2O) + H2O = (Mg+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 2.1 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.5 (+2.1,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Mg+ (3s1); M |
By formula: (Mg+2 • 7H2O) + H2O = (Mg+2 • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 8H2O) + H2O = (Mg+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 9H2O) + H2O = (Mg+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 10H2O) + H2O = (Mg+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
7.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 11H2O) + H2O = (Mg+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 12H2O) + H2O = (Mg+2 • 13H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (Mg+2 • 13H2O) + H2O = (Mg+2 • 14H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (Mg+2 • 14H2O) + H2O = (Mg+2 • 15H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (Mg+2 • 15H2O) + H2O = (Mg+2 • 16H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: Mn+ + H2O = (Mn+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 26.5 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • H2O) + H2O = (Mn+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.5 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • 2H2O) + H2O = (Mn+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
25.8 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Mn+ • 3H2O) + H2O = (Mn+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.0 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Mn+2 • 8H2O) + H2O = (Mn+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.3 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 9H2O) + H2O = (Mn+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 10H2O) + H2O = (Mn+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.6 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mn+2 • 11H2O) + H2O = (Mn+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.1 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: NO- + H2O = (NO- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.5 | kcal/mol | PHPMS | French, Hills, et al., 1973 | gas phase; M |
ΔrH° | 16.6 | kcal/mol | PES | Eaton, Arnold, et al., 1990 | gas phase; M |
ΔrH° | 22.7 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | French, Hills, et al., 1973 | gas phase; M |
ΔrS° | 23.9 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.7 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; switching reaction(NO+)NO; M |
By formula: (NO- • H2O) + H2O = (NO- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.70 | kcal/mol | N/A | Eaton, Arnold, et al., 1990 | gas phase; Vertical Detachment Energy: 1.860±0.020 eV; B,M |
ΔrH° | 16.1 | kcal/mol | PHPMS | French, Hills, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | French, Hills, et al., 1973 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 293. | HPMS | McAdams and Bone, 1972 | gas phase; M |
8.5 | 296. | FA | Howard, Rundle, et al., 1971 | gas phase; M |
8.5 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: (NO- • 2H2O) + H2O = (NO- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 | kcal/mol | PES | Eaton, Arnold, et al., 1990 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.4 | 308. | PHPMS | French, Hills, et al., 1973 | gas phase; M |
5.9 | 293. | HPMS | McAdams and Bone, 1972 | gas phase; M |
6.0 | 296. | FA | Howard, Rundle, et al., 1971 | gas phase; M |
6.0 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: NO2+ + H2O = (NO2+ • H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.1 (+2.3,-0.) | PD/KERD | Graul, Kim, et al., 1992 | gas phase; M |
By formula: NO2- + H2O = (NO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 4. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Sieck, 1985 | gas phase; M |
ΔrS° | 20.0 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M |
ΔrS° | 23.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 21. | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.50 ± 0.20 | kcal/mol | TDAs | Sieck, 1985 | gas phase; B |
ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 8.1 ± 5.8 | kcal/mol | Endo | Paulson and Dale, 1982 | gas phase; B |
ΔrG° | 8.10 ± 0.20 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
ΔrG° | 8.00 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
8.4 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 12.9 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrH° | 13.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.8 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 5.80 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
5.8 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 10.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrH° | 11.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.8 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 4.0 ± 1.4 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
ΔrG° | 4.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.5 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (NO2- • 3H2O) + H2O = (NO2- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: NO3- + H2O = (NO3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.60 ± 0.20 | kcal/mol | N/A | Lee, Keesee, et al., 1980 | gas phase; B,M |
ΔrH° | 14.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.40 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 14.8 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 19.2 | kcal/mol | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 21.3 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
ΔrS° | 19.1 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.30 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 7.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 6.70 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
6.8 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.0 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
+ + = C3H8NO6-
By formula: NO3- + H2O + C3H6O2 = C3H8NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.90 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+ + = C4H10NO6-
By formula: NO3- + H2O + C4H8O2 = C4H10NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.80 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 14.3 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.20 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
5.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (NO3- • 2H2O) + H2O = (NO3- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 13.8 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.2 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (NO3- • O2S) + H2O = (NO3- • H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
+ = H2N3O-
By formula: N3- + H2O = H2N3O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11. ± 18. | kcal/mol | N/A | Yang, Kiran, et al., 2004 | gas phase; Affinity: EA change (H2O)n-1..N3- ion. Vertical Detachment Energy: 3.25±0.03 eV; B |
By formula: (Na+ • CO2) + H2O = (Na+ • H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
ΔrH° | 22.9 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
ΔrS° | 25.6 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M |
By formula: Na+ + H2O = (Na+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.0 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 21.0 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 19.6 ± 1.4 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 22.7 ± 1.9 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 26.5 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 22. | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, 1600 K; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.6 (+1.8,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.7 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • H2O • CO2) + H2O = (Na+ • 2H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
By formula: (Na+ • 2H2O • CO2) + H2O = (Na+ • 3H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
By formula: (Na+ • H2O) + H2O = (Na+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19. ± 2. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
19.6 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Na+ • 2H2O) + H2O = (Na+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrH° | 15.8 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 16.7 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 16.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrS° | 21.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.8 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Na+ • 3H2O) + H2O = (Na+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 ± 0.9 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. ± 3. | cal/mol*K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.1 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1996 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
13.1 (+1.4,-0.) | CID | Dalleska, Tjelta, et al., 1994 | gas phase; guided ion beam CID, Na+ (3s0); M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
6.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Na+ • 4H2O) + H2O = (Na+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrH° | 11.6 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
ΔrH° | 12.3 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrS° | 26.5 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
ΔrS° | 28.1 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; M |
By formula: (Na+ • 5H2O) + H2O = (Na+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (Na+ • O2S) + H2O = (Na+ • H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | HPMS | Upschulte, Schelling, et al., 1984 | gas phase; M |
By formula: Ni+ + H2O = (Ni+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 39.7 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.0 (+0.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • H2O) + H2O = (Ni+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.6 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.2 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 2H2O) + H2O = (Ni+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.3 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+ • 3H2O) + H2O = (Ni+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.4 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ni+2 • 7H2O) + H2O = (Ni+2 • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 8H2O) + H2O = (Ni+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 9H2O) + H2O = (Ni+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.9 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 10H2O) + H2O = (Ni+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.5 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 11H2O) + H2O = (Ni+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.5 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Ni+2 • 12H2O) + H2O = (Ni+2 • 13H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 300. | HPMS | Blades, Jayaweera, et al., 1990, 2 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: O- + H2O = (O- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.5 ± 1.8 | kcal/mol | PDis | Deyerl, Clements, et al., 2001 | gas phase; B |
ΔrH° | 0.52 | kcal/mol | N/A | Arnold, Xu, et al., 1995 | gas phase; Vertical Detachment Energy: 1.45 eV. Affinity is difference between EA of O-. and HOH..O-.; B |
ΔrH° | 30.0 | kcal/mol | PDiss | Roehl, Snodgrass, et al., 1991 | gas phase; ΔrH<; M |
ΔrH° | 30. | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; bracketing, ΔrH<; M |
By formula: O2+ + H2O = (O2+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2+)SO2, ΔrH>; M |
By formula: O2- + H2O = (O2- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.3 ± 1.5 | kcal/mol | N/A | Luong, Clements, et al., 2001 | gas phase; Vertical Detachment Energy: 2.03±0.05 eV.; B |
ΔrH° | 18.4 ± 2.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.5 ± 2.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 11.7 ± 2.0 | kcal/mol | IMRE | Parkes, 1971 | gas phase; B |
By formula: (O2- • H2O) + H2O = (O2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 1.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.70 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 8.5 ± 1.0 | kcal/mol | IMRE | Payzant J.D. and Kebarle, 1972 | gas phase; B |
ΔrG° | 9.7 ± 1.0 | kcal/mol | IMRE | Pack and Phelps, 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 300. | PHPMS | Payzant J.D. and Kebarle, 1972 | gas phase; M |
By formula: (O2- • 2H2O) + H2O = (O2- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.00 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.1 | 300. | PHPMS | Payzant J.D. and Kebarle, 1972 | gas phase; M |
By formula: (O2- • 3H2O) + H2O = (O2- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.4 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
ΔrG° | 3.4 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
By formula: (O2- • 4H2O) + H2O = (O2- • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B |
(O2S- • • 3) + = (O2S- • 2 • 3)
By formula: (O2S- • H2O • 3O2S) + H2O = (O2S- • 2H2O • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.40 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.80 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • • 4) + = (O2S- • 2 • 4)
By formula: (O2S- • H2O • 4O2S) + H2O = (O2S- • 2H2O • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 2 • 3) + = (O2S- • 3 • 3)
By formula: (O2S- • 2H2O • 3O2S) + H2O = (O2S- • 3H2O • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.30 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.00 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
(O2S- • 2 • 4) + = (O2S- • 3 • 4)
By formula: (O2S- • 2H2O • 4O2S) + H2O = (O2S- • 3H2O • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 ± 0.70 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.60 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • O2S) + H2O = (O2S- • H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.90 ± 0.80 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.30 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • 2O2S) + H2O = (O2S- • H2O • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.40 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.60 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • 3O2S) + H2O = (O2S- • H2O • 3O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.60 ± 0.30 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.40 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • 4O2S) + H2O = (O2S- • H2O • 4O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.50 ± 0.40 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.30 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O2S- • 5O2S) + H2O = (O2S- • H2O • 5O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.10 ± 0.20 | kcal/mol | TDAs | Vacher, Leduc, et al., 1994 | gas phase; B |
By formula: (O3- • H2O) + H2O = (O3- • 2H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.2 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (O3- • 2H2O) + H2O = (O3- • 3H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: O3P- + H2O = (O3P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.90 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M |
ΔrH° | 12.6 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 1.2 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B |
ΔrG° | 6.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
By formula: (O3P- • H2O) + H2O = (O3P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrH° | 11.4 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.9 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
By formula: (O3P- • 2H2O) + H2O = (O3P- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.3 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
By formula: (O3P- • 3H2O) + H2O = (O3P- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
By formula: O3S- + H2O = (O3S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.60 ± 0.20 | kcal/mol | IMRE | Möhler, Reiner, et al., 1992 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: O4S- + H2O = (O4S- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.90 ± 0.20 | kcal/mol | IMRE | Möhler, Reiner, et al., 1992 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (O4S- • H2O) + H2O = (O4S- • 2H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.6 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
+ 6 = H12O10S-2
By formula: O4S-2 + 6H2O = H12O10S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.50 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; B |
+ 12 = H24O16S-2
By formula: O4S-2 + 12H2O = H24O16S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.8 ± 2.0 | kcal/mol | TDAs | Blades and Kebarle, 2005 | gas phase; B |
+ 13 = H26O17S-2
By formula: O4S-2 + 13H2O = H26O17S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.1 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 14 = H28O18S-2
By formula: O4S-2 + 14H2O = H28O18S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.9 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 15 = H30O19S-2
By formula: O4S-2 + 15H2O = H30O19S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.5 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 16 = H32O20S-2
By formula: O4S-2 + 16H2O = H32O20S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.3 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 17 = H34O21S-2
By formula: O4S-2 + 17H2O = H34O21S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.2 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 18 = H36O22S-2
By formula: O4S-2 + 18H2O = H36O22S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.9 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
+ 19 = H38O23S-2
By formula: O4S-2 + 19H2O = H38O23S-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.7 ± 2.0 | kcal/mol | IMRE | Blades and Kebarle, 2005 | gas phase; dGaff at 270K; 298 value probably ca. 0.5 kcal/mole weaker; B |
By formula: (O4S-2 • 5H2O) + H2O = (O4S-2 • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (O4S-2 • 6H2O) + H2O = (O4S-2 • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (O4S-2 • 7H2O) + H2O = (O4S-2 • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.7 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (O4S-2 • 8H2O) + H2O = (O4S-2 • 9H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 6.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (O4S-2 • 9H2O) + H2O = (O4S-2 • 10H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.5 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: (O4S-2 • 10H2O) + H2O = (O4S-2 • 11H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.0 | kcal/mol | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
By formula: Pb+ + H2O = (Pb+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.4 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.5 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
By formula: (Pb+ • H2O) + H2O = (Pb+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.9 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
By formula: (Pb+ • 2H2O) + H2O = (Pb+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.2 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
By formula: (Pb+ • 4H2O) + H2O = (Pb+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
By formula: (Pb+ • 5H2O) + H2O = (Pb+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
By formula: Rb+ + H2O = (Rb+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 16.0 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 20.1 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Rb+ • H2O) + H2O = (Rb+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Rb+ • 2H2O) + H2O = (Rb+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 13. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Rb+ • 3H2O) + H2O = (Rb+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: (Rb+ • 4H2O) + H2O = (Rb+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.7 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
By formula: Sc+ + H2O = (Sc+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
By formula: Sr+ + H2O = (Sr+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.5 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.1 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • H2O) + H2O = (Sr+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.1 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 2H2O) + H2O = (Sr+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.7 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 3H2O) + H2O = (Sr+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.3 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 4H2O) + H2O = (Sr+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.5 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 5H2O) + H2O = (Sr+ • 6H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.3 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.5 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 6H2O) + H2O = (Sr+ • 7H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.4 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+ • 7H2O) + H2O = (Sr+ • 8H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.4 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.6 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
By formula: (Sr+2 • 8H2O) + H2O = (Sr+2 • 9H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 9H2O) + H2O = (Sr+2 • 10H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 10H2O) + H2O = (Sr+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Sr+2 • 11H2O) + H2O = (Sr+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.9 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: Ti+ + H2O = (Ti+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36.8 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • H2O) + H2O = (Ti+ • 2H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32.5 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • 2H2O) + H2O = (Ti+ • 3H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.0 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Ti+ • 3H2O) + H2O = (Ti+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
20.0 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: V+ + H2O = (V+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 35.1 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
35.1 (+8.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (V+ • H2O) + H2O = (V+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.5 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
36.1 (+2.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (V+ • 2H2O) + H2O = (V+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.3 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (V+ • 3H2O) + H2O = (V+ • 4H2O)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
16.2 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Zn+ + H2O = (Zn+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 3657 | A | 3656.65 | gas | 3654 | gas | ||
a1 | 2 | Bend | 1595 | A | 1594.59 | gas | ||||
b1 | 3 | Anti str | 3756 | A | 3755.79 | gas | ||||
Source: Shimanouchi, 1972
Notes
A | 0~1 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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