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:
- Phase change data
- 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
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Gas Chromatography
- Fluid Properties
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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, Reaction thermochemistry 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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
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 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry 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, Reaction thermochemistry 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.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Bierbaum, Golde, et al., 1976
Bierbaum, V.M.; Golde, M.F.; Kaufman, F.,
Flowing Afterglow Studies of Hydronium Ion Clustering Including Diffusion Effects,
J. Chem. Phys., 1976, 65, 7, 2715, https://doi.org/10.1063/1.433415
. [all data]
Arifov, Pozharov, et al., 1971
Arifov, U.A.; Pozharov, S.L.; Chernov, I.G.,
High Energy Chem., 1971, 5, 1. [all data]
Puckett and Teague, 1971
Puckett, L.J.; Teague, A.W.,
Production of H3O+.nH2O from NO+ Precursor in NO - H2O Gas Mixtures,
J. Chem. Phys., 1971, 54, 6, 2564, https://doi.org/10.1063/1.1675213
. [all data]
Good, Durden, et al., 1970
Good, A.; Durden, D.A.; Kebarle, P.,
Ion-Molecule Reactions in Pure Nitrogen and Nitrogen Containing Traces of Water at Total Pressures 0.5 - 4 torr. Kinetics of Clustering Reactions Forming H+(H2O)n,
J. Chem. Phys., 1970, 52, 1, 212, https://doi.org/10.1063/1.1672667
. [all data]
Good, Durden, et al., 1970, 2
Good, A.; Durden, D.A.; Kebarle, P.,
Mechanism and Rate Constants of Ion-Molecule Reactions Leading to Formation of H+(H2O)n in Moist Oxygen and Air,
J. Chem. Phys., 1970, 52, 1, 222, https://doi.org/10.1063/1.1672668
. [all data]
Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration,
J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016
. [all data]
Davidson, Sunner J., et al., 1979
Davidson, W.R.; Sunner J.; Kebarle, P.,
Hydrogen Bonding of Water to Onium Ions. Hydration of Substituted Pyridinium Ions and Related Systems,
J. Am. Chem. Soc., 1979, 101, 7, 1675, https://doi.org/10.1021/ja00501a005
. [all data]
Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D.,
Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules,
J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]
Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B.,
Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements,
J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016
. [all data]
Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P.,
Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding,
J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002
. [all data]
Yamdagni and Kebarle, 1976
Yamdagni, R.; Kebarle, P.,
Gas Phase Basicities and Proton Affinities of Compounds Between Water Ammonia and Substituted Benzenes from a Continuous Ladder of Proton Transfer Equilibrium Measurements,
J. Am. Chem. Soc., 1976, 98, 6, 1320, https://doi.org/10.1021/ja00422a005
. [all data]
Wolf, Staley, et al., 1977
Wolf, J.F.; Staley, R.H.; Koppel, I.; Taagepera, M.; McIver, R.T.; Beauchamp, J.L.; Taft, R.W.,
Gas Phase Basicities and Relative Proton Affinities of Compounds Between Water and Ammonia from Pulsed Ion Cyclotron Resonance Thermal Equilibria Measurements,
J. Am. Chem. Soc., 1977, 99, 16, 5417, https://doi.org/10.1021/ja00458a032
. [all data]
Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L.,
A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons,
J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004
. [all data]
Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E.,
Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol,
J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333
. [all data]
Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M.,
Intermolecular Forces in Organic Clusters,
J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024
. [all data]
Bohme, Mackay, et al., 1979
Bohme, D.K.; Mackay, G.I.; Tanner, S.D.,
An Experimental Study of the Gas - Phase Kinetics of Reactions with Hydrated H3O+ Ions (n=1 - 3) at 298 K,
J. Am. Chem. Soc., 1979, 101, 14, 3724, https://doi.org/10.1021/ja00508a003
. [all data]
Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P.,
Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides,
J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027
. [all data]
Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr.,
The properties of clusters in the gas phase. IV. Complexes of H2O and HNOx clustering on NOx-,
J. Chem. Phys., 1980, 72, 1089. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Arnold and Qiu, 1984
Arnold, F.; Qiu, S.,
Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances,
Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X
. [all data]
Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E.,
Bond energies of the molecules H2O, SO2, H2O2, and HCl to various atmospheric negative ions,
J. Chem. Phys., 1984, 81, 2805. [all data]
Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V.,
Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions,
J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543
. [all data]
Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E.,
Laboratory studies of negative ion reactions with atmospheric trace constituents,
J. Chem. Phys., 1974, 61, 3181. [all data]
Payzant, Cunningham, et al., 1972
Payzant, J.D.; Cunningham, A.J.; Kebarle, P.,
Kinetics and Rate Constants of Reactions Leading to Hydration of NO2- and NO3- in Gaseous Oxygen, Argon, and Helium Containing Traces of Water,
Can. J. Chem., 1972, 50, 14, 2230, https://doi.org/10.1139/v72-358
. [all data]
Sieck, 1985
Sieck, L.W.,
Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure.,
J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049
. [all data]
Paulson and Dale, 1982
Paulson, J.F.; Dale, J.,
Reactions of OH-.H2O with NO2,
J. Chem. Phys., 1982, 77, 4006. [all data]
Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes,
J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t
. [all data]
Dalleska, Tjelta, et al., 1994
Dalleska, N.F.; Tjelta, B.L.; Armentrout, P.B.,
Sequential Bond Energies of Water to Na+ (3s0), Mg+ (3s1), and Al+ (3s2),
J. Phys. Chem., 1994, 98, 15, 4191, https://doi.org/10.1021/j100066a045
. [all data]
Blades, Jayaweera, et al., 1990
Blades, A.T.; Jayaweera, P.; Ikonomou, M.G.; Kebarle, P.,
Studies of Alkaline - Earth and Transition - Metal M++ Gas - Phase Ion Chemistry,
J. Chem. Phys., 1990, 92, 10, 5900, https://doi.org/10.1063/1.458360
. [all data]
Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Solvation of Halide Ions with H2O and CH3CN in the Gas Phase,
J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051
. [all data]
Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr.,
Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase,
Chem. Phys. Lett., 1980, 74, 139. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O.,
Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters,
J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965
. [all data]
Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S.,
Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH,
Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Tang, Lian, et al., 1976
Tang, I.N.; Lian, M.S.; Castleman, A.W.,
Mass Spectrometric Study of Gas - Phase Clustering Reactions: Hydration of the Monovalent Strontium Ion,
J. Chem. Phys., 1976, 65, 10, 4022, https://doi.org/10.1063/1.432854
. [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B.,
Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation,
Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X
. [all data]
Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J.,
Hydration of Negative Ions in the Gas Phase,
J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145
. [all data]
Meot-Ner (Mautner) and Speller, 1986
Meot-Ner (Mautner), M.; Speller, C.V.,
The Filling of Solvent Shells in Cluster Ions: Thermochemical Criteria nd the Effects of Isomeric Clusters,
J. Phys. Chem., 1986, 90, 25, 6616, https://doi.org/10.1021/j100283a006
. [all data]
Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P.,
Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w,
Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485
. [all data]
Bryndza, Fong, et al., 1987
Bryndza, H.E.; Fong, L.K.; Paciello, R.A.; Tam, W.; Bercaw, J.E.,
J. Am. Chem. Soc., 1987, 109, 1444. [all data]
Wincel, 2008
Wincel, H.,
Hydration energies of deprotonated amino acids from gas phase equilibria measurements,
J. Am. Soc. Mass Spectrom., 2008, 19, 8, 1091-1097, https://doi.org/10.1016/j.jasms.2008.05.014
. [all data]
Meot-ner, Elmore, et al., 1999
Meot-ner, M.; Elmore, D.E.; Scheiner, S.,
Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging and Self-assembly of Carboxylic Groups,
J. Am. Chem. Soc., 1999, 121, 33, 7625, https://doi.org/10.1021/ja982173i
. [all data]
Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W.,
The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions,
J. Am. Chem. Soc., 1986, 108, 7525. [all data]
Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022
. [all data]
Blanchard, Joly, et al., 1974
Blanchard, J.M.; Joly, R.D.; Lettoffe, J.M.; Perachon, G.; Thourey, J.,
J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 472. [all data]
Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B.,
Russ. Chem. Rev., 1980, 49, 603. [all data]
Wagman, Evans W.H., et al., 1982
Wagman, D.D.; Evans W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L.,
The NBS Tables of Chemical Thermodynamic Properties; J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2. [all data]
Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W.,
In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]
Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P.,
Ionic Solvation by Aprotic Solvents. Gas Phase Solvation of the Alkali Ions by Acetonitrile,
J. Am. Chem. Soc., 1976, 98, 20, 6125, https://doi.org/10.1021/ja00436a010
. [all data]
Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N.,
Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer.,
J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]
Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P.,
Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6,
Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432
. [all data]
Chupka, 1959
Chupka, W.A.,
Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+,
J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974
. [all data]
Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B.,
Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements.,
J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004
. [all data]
Meot-ner, 1988, 2
Meot-ner, M.,
The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules,
J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022
. [all data]
Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V.,
Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide,
J. Phys. Chem., 1989, 93, 6580. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P.,
Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase,
J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076
. [all data]
Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P.,
Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity,
J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015
. [all data]
Keesee and Castleman Jr., 1989
Keesee, R.G.; Castleman Jr.,
Hydration of Monomeric Metaphosphate Anion in the Gas Phase,
J. Am. Chem. Soc., 1989, 111, 25, 9015, https://doi.org/10.1021/ja00207a004
. [all data]
Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P.,
Hydration in the Gas Phase of the Orthophosphate Anion (HO)2PO2-, and the Conversion of the Orthophosphate anion to the Metaphosphate, PO3-, Ion,
J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w
. [all data]
Blades, Ho, et al., 1996, 2
Blades, A.T.; Ho, Y.; Kebarle, P.,
Hydration in the Gas Phase of the Orthophosphate Anion, (HO)2PO2-, and the Conversion of the Orthophosphate to teh Metaphosphate, PO3-, Ion,
J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w
. [all data]
Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B.,
Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8
. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
Nicol, Sunner, et al., 1988
Nicol, G.; Sunner, J.; Kebarle, P.,
Kinetics and Thermodynamics of Protonation Reactions: H3O+(H2O)h + B = BH+(H2O)b + (h - b +1)H2O, where B is a Nitrogen, Oxygen or Carbon Base,
Int. J. Mass Spectrom. Ion Proc., 1988, 84, 1-2, 135, https://doi.org/10.1016/0168-1176(88)83032-5
. [all data]
Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S.,
Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms,
J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018
. [all data]
Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E.,
Stable Hydrogen - Bonded Isomers of Covalent Ions,
J. Am. Chem. Soc., 1985, 107, 4835. [all data]
Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P.,
A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase,
J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003
. [all data]
Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr.,
Thermochemical data on Ggs-phase ion-molecule association and clustering reactions,
J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]
Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F.,
Translational energy dependence of cross sections for reactions of OH- (H2O)n with CO2 and SO2,
J. Chem. Phys., 1984, 80, 4890. [all data]
DePaz, Giardini, et al., 1970
DePaz, M.; Giardini, A.G.; Friedman, L.,
Tandem-Mass-Spectrometer Study of Solvated Derivatives of OD-. Total Hydration Energy of the Proton,
J. Chem. Phys., 1970, 52, 2, 687, https://doi.org/10.1063/1.1673041
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.