Ammonia
- Formula: H3N
- Molecular weight: 17.0305
- IUPAC Standard InChIKey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
- CAS Registry Number: 7664-41-7
- 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: Ammonia gas; Nitro-Sil; Spirit of Hartshorn; NH3; Ammonia, anhydrous; Anhydrous ammonia; Aromatic Ammonia, Vaporole
- 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 146
- Fluid Properties
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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 | -10.98 ± 0.084 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -10.97 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 46.07 ± 0.01 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 46.073 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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) | 298. to 1400. | 1400. to 6000. |
---|---|---|
A | 4.779071 | 12.43410 |
B | 11.89560 | 4.418741 |
C | -3.674950 | -0.899887 |
D | 0.459170 | 0.059403 |
E | 0.045214 | -2.977532 |
F | -12.74060 | -20.44430 |
G | 48.72349 | 53.49001 |
H | -10.96990 | -10.96990 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 194.95 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 0.05981 | atm | N/A | Fonseca and Lobo, 1989 | Uncertainty assigned by TRC = 0.00005 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 405.4 | K | N/A | Brunner, 1988 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 405.6 | K | N/A | Hentze, 1977 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 111.52 | atm | N/A | Brunner, 1988 | Uncertainty assigned by TRC = 0.05 atm; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.43 | 308. | N/A | Zander and Thomas, 1979 | Based on data from 293. to 392. K.; AC |
5.62 | 239. | N/A | Overstreet and Giauque, 1937 | Based on data from 199. to 241. K.; AC |
5.59 | 239. | C | Overstreet and Giauque, 1937 | AC |
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 |
---|---|---|---|---|---|
164.0 to 239.6 | 3.18186 | 506.713 | -80.78 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
239.6 to 371.5 | 4.86315 | 1113.928 | -10.409 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.46 | 177. to 195. | Overstreet and Giauque, 1937 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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. 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: (H4N+ • 3H3N) + H3N = (H4N+ • 4H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 0.9 | kcal/mol | AVG | N/A | Average of 5 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 2. | cal/mol*K | AVG | N/A | Average of 3 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; M |
By formula: (H4N+ • 2H3N) + H3N = (H4N+ • 3H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 5. | kcal/mol | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. ± 1. | cal/mol*K | AVG | N/A | Average of 4 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; M |
6.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: (H4N+ • H3N) + H3N = (H4N+ • 2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. ± 1. | kcal/mol | AVG | N/A | Average of 5 out of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | HPMS | Tang and Castleman, 1975 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | DT | Long and Franklin, 1973 | gas phase; M |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; typographical error in ΔrH; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; DG>; M |
10.1 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
5.5 | 400. | HPMS | Wincel, 1972 | gas phase; M |
By formula: H4N+ + H3N = (H4N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. ± 2. | kcal/mol | AVG | N/A | Average of 4 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. ± 3. | 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 |
---|---|---|---|---|
6.3 | 400. | HPMS | Wincel, 1972 | gas phase; M |
By formula: Cl- + H3N = (Cl- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <7.30 ± 0.40 | kcal/mol | N/A | Tschurl and Boesl, 2008 | gas phase; B |
ΔrH° | 8.20 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
ΔrH° | 8.9 ± 1.2 | kcal/mol | N/A | Markovich, Chesnovsky, et al., 1993 | gas phase; B |
ΔrH° | 10.5 ± 4.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.4 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
ΔrS° | 19.9 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.60 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
ΔrG° | 4.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: (H4N+ • 4H3N) + H3N = (H4N+ • 5H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrH° | 7.5 | kcal/mol | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrH° | 7. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
ΔrH° | 2.8 | kcal/mol | TPEPICO | Kamke, Herrmann, et al., 1988 | gas phase; M |
ΔrH° | 9.6 | kcal/mol | DT | Long and Franklin, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrS° | 25. | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrS° | 32. | cal/mol*K | DT | Long and Franklin, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.5 | kcal/mol | HPMS | Hogg, Haynes, et al., 1966 | gas phase; M |
By formula: Li+ + H3N = (Li+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.1 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 38.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.1 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
By formula: (Na+ • H3N) + H3N = (Na+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
H2N- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 403.44 ± 0.28 | kcal/mol | D-EA | Wickham-Jones, Ervin, et al., 1989 | gas phase; B |
ΔrH° | 403.55 ± 0.80 | kcal/mol | G+TS | MacKay, Hemsworth, et al., 1976 | gas phase; B |
ΔrH° | 402.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; HCrO3(t); ; ΔS(EA)=6.6; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 395.99 ± 0.38 | kcal/mol | H-TS | Wickham-Jones, Ervin, et al., 1989 | gas phase; B |
ΔrG° | 396.10 ± 0.70 | kcal/mol | IMRE | MacKay, Hemsworth, et al., 1976 | gas phase; B |
ΔrG° | 395.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; HCrO3(t); ; ΔS(EA)=6.6; B |
By formula: C4H9+ + H3N = (C4H9+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrH° | 45.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrH° | 46.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 43.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrS° | 47.3 | cal/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrS° | 44.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
By formula: Na+ + H3N = (Na+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 24.4 ± 1.3 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 25.6 ± 0.2 | kcal/mol | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrH° | 29.1 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21800. | cal/mol*K | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrS° | 25.7 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C3H9Sn+ + H3N = (C3H9Sn+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.9 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.6 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
By formula: (H4N+ • 3CHN • H3N) + CHN = (H4N+ • 4CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.7 | 292. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated, T = 392 in paper is error; M |
By formula: I- + H3N = (I- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.40 ± 0.30 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.20 ± 0.60 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
By formula: (H4N+ • H3N • 2CHN) + H3N = (H4N+ • 2H3N • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • CHN • 2H3N) + CHN = (H4N+ • 2CHN • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.9 | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • CHN) + H3N = (H4N+ • H3N • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 429. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: Br- + H3N = (Br- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
By formula: (H4N+ • 5H3N) + H3N = (H4N+ • 6H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.5 | kcal/mol | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrH° | 6. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
By formula: K+ + H3N = (K+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
ΔrH° | 17.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
ΔrS° | 28.0 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (H4N+ • 2H3N) + CHN = (H4N+ • CHN • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • H3N • 2H2O) + H3N = (H4N+ • 2H3N • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | 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 |
(C6H15O3+ • ) + = (C6H15O3+ • • )
By formula: (C6H15O3+ • H3N) + C6H14O3 = (C6H15O3+ • C6H14O3 • H3N)
Bond type: Hydrogen bonds between protonated and neutral organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 50.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (H4N+ • 2H3N • H2O) + H3N = (H4N+ • 3H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.3 | 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+ • H3N • H2O) + H3N = (H4N+ • 2H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.1 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | 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+ • 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+ • 2H2O) + H3N = (H4N+ • H3N • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.2 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | 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: (H4N+ • 3H2O) + H3N = (H4N+ • H3N • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; 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+ • H2O) + H3N = (H4N+ • H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • C4H10O2) + H3N = (H4N+ • H3N • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: H- + H3N = (H- • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1995 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrH° | 8.3 | kcal/mol | PES | Coe, Snodgrass, et al., 1985 | gas phase; ΔrH<; M |
By formula: (Cu+ • 2H3N) + H3N = (Cu+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 14.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Cu+ • 3H3N) + H3N = (Cu+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 12.8 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.7 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Pb+ • 2H3N) + H3N = (Pb+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (Pb+ • 3H3N) + H3N = (Pb+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (Pb+ • H3N) + H3N = (Pb+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: C2H8N+ + H3N = (C2H8N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
By formula: C6H15O3+ + H3N = (C6H15O3+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: CH6N+ + H3N = (CH6N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 | kcal/mol | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
By formula: Pb+ + H3N = (Pb+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (H- • H3N) + H3N = (H- • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
By formula: (H2N- • H3N) + H3N = (H2N- • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1989 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
By formula: (H4N+ • 2CHN • H3N) + CHN = (H4N+ • 3CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • CHN • H3N) + CHN = (H4N+ • 2CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; M |
By formula: (H4N+ • 2H3N • C2H3N) + H3N = (H4N+ • 3H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
27. | 2100. | Q | N/A | Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical. |
61. | 4200. | M | N/A | |
56. | 4100. | M | N/A | |
56. | 4200. | T | N/A | |
58. | 4100. | T | N/A | |
58. | 4100. | Q | N/A | missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species. |
78. | M | N/A | ||
62. | 4085.? | N/A | N/A | |
53. | Q | N/A | missing citation gives missing citation as the source for the data. However, no data was found in that reference. | |
59. | 4400. | X | N/A | |
76. | 3400. | M | N/A | |
61. | 4200. | L | N/A | |
10. | 1500. | L | N/A | |
57. | 4100. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
59. | 4100. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
62. | X | N/A | Value given here as quoted by missing citation. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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 H3N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.070 ± 0.020 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 204.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 195.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
H+ | 18.57 | H2N | PI | Qi, Sheng, et al., 1995 | LL |
HN+ | 28. ± 1.5 | H2/2H | EI | Muller and Schulz, 1990 | LL |
HN+ | 16.9 ± 0.1 | H2 | EI | Locht, Servais, et al., 1988 | LL |
HN+ | 17.2 | H2 | EI | Morrison and Traeger, 1973 | LLK |
NH+ | 17.1 ± 0.1 | H2 | EI | Reed and Snedden, 1959 | RDSH |
H2N+ | 15.75 | H | PI | Qi, Sheng, et al., 1995 | LL |
H2N+ | 15.60 ± 0.02 | H | PIPECO | Ruede, Troxler, et al., 1993 | LL |
H2N+ | 15.75 | H | PI | Locht, Hottmann, et al., 1992 | LL |
H2N+ | 15.76 ± 0.05 | H | PI | Locht, Servais, et al., 1988 | LL |
H2N+ | 15.76 ± 0.05 | H | EI | Locht, Servais, et al., 1988 | LL |
H2N+ | 15.5 | H | PIPECO | Powis, 1981 | LLK |
H2N+ | 15.87 ± 0.13 | H | DER | Powis, 1981 | LLK |
H2N+ | 15.768 ± 0.004 | H | PI | McCulloh, 1976 | LLK |
H2N+ | 15.0 | H | EI | Morrison and Traeger, 1973 | LLK |
NH2+ | 15.73 ± 0.02 | H | PI | Dibeler, Walker, et al., 1966 | RDSH |
NH2+ | 16.0 ± 0.1 | H | EI | Foner and Hudson, 1958 | RDSH |
N+ | ≤22.5 | H2+H | EI | Morrison and Traeger, 1973 | LLK |
N+ | 22.6 ± 0.1 | H2+H | EI | Reed and Snedden, 1959 | RDSH |
De-protonation reactions
H2N- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 403.44 ± 0.28 | kcal/mol | D-EA | Wickham-Jones, Ervin, et al., 1989 | gas phase; B |
ΔrH° | 403.55 ± 0.80 | kcal/mol | G+TS | MacKay, Hemsworth, et al., 1976 | gas phase; B |
ΔrH° | 402.30 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; HCrO3(t); ; ΔS(EA)=6.6; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 395.99 ± 0.38 | kcal/mol | H-TS | Wickham-Jones, Ervin, et al., 1989 | gas phase; B |
ΔrG° | 396.10 ± 0.70 | kcal/mol | IMRE | MacKay, Hemsworth, et al., 1976 | gas phase; B |
ΔrG° | 395.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; HCrO3(t); ; ΔS(EA)=6.6; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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+ • H3N) + H3N = (Ag+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.9 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.7 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 2H3N) + H3N = (Ag+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.6 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 3H3N) + H3N = (Ag+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.0 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Ag+ • 4H3N) + H3N = (Ag+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.1 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: Bi+ + H3N = (Bi+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.5 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.7 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Bi+ • H3N) + H3N = (Bi+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.0 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Bi+ • 2H3N) + H3N = (Bi+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: Br- + H3N = (Br- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
By formula: CH6N+ + H3N = (CH6N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.4 | kcal/mol | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
By formula: C2H8N+ + H3N = (C2H8N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1974 | gas phase; M |
By formula: C3H9Si+ + H3N = (C3H9Si+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.5 | kcal/mol | PHPMS | Li and Stone, 1990 | gas phase; switching reaction((CH3)3Si+)CH3COOC2H5; Wojtyniak and Stone, 1986; M |
By formula: C3H9Sn+ + H3N = (C3H9Sn+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.9 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.1 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.6 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH/NH3, Entropy change calculated or estimated; M |
By formula: C4H9+ + H3N = (C4H9+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrH° | 45.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrH° | 46.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 43.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrS° | 47.3 | cal/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase; forms t-C4H9NH3+; M |
ΔrS° | 44.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
By formula: C5H10NO2+ + H3N = (C5H10NO2+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.9 | cal/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
By formula: C5H12NO2+ + H3N = (C5H12NO2+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.9 | kcal/mol | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.8 | cal/mol*K | PHPMS | Meot-Ner and Field, 1974 | gas phase; M |
By formula: C6H15O3+ + H3N = (C6H15O3+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: Cl- + H3N = (Cl- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <7.30 ± 0.40 | kcal/mol | N/A | Tschurl and Boesl, 2008 | gas phase; B |
ΔrH° | 8.20 ± 0.10 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
ΔrH° | 8.9 ± 1.2 | kcal/mol | N/A | Markovich, Chesnovsky, et al., 1993 | gas phase; B |
ΔrH° | 10.5 ± 4.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.4 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
ΔrS° | 19.9 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3F, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.60 ± 0.20 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
ΔrG° | 4.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: Co+ + H3N = (Co+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.1 ± 3.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 58.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Co+ • H3N) + H3N = (Co+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.3 ± 3.1 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 61.1 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Co+ • 2H3N) + H3N = (Co+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Co+ • 3H3N) + H3N = (Co+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: Cr+ + H3N = (Cr+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 2.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 37.4 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Cr+ • H3N) + H3N = (Cr+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.8 ± 2.2 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 40.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Cr+ • 2H3N) + H3N = (Cr+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Cr+ • 3H3N) + H3N = (Cr+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 2.2 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: Cu+ + H3N = (Cu+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.6 ± 3.3 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Cu+ • H3N) + H3N = (Cu+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.8 ± 2.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Cu+ • 2H3N) + H3N = (Cu+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 14.0 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.8 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Cu+ • 3H3N) + H3N = (Cu+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 12.8 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.7 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: (Cu+ • 4H3N) + H3N = (Cu+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.8 | kcal/mol | HPMS | Holland and Castleman, 1982 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.1 | cal/mol*K | HPMS | Holland and Castleman, 1982 | gas phase; M |
By formula: F- + H3N = (F- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23. | kcal/mol | FA | Spears and Ferguson, 1973 | gas phase; ΔrH>; M |
By formula: Fe+ + H3N = (Fe+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.7 ± 2.9 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 38.5 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Fe+ • H3N) + H3N = (Fe+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 53.8 ± 2.9 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 48.7 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Fe+ • 2H3N) + H3N = (Fe+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 ± 3.1 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Fe+ • 3H3N) + H3N = (Fe+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.0 ± 1.7 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: H- + H3N = (H- • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1995 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrH° | 8.3 | kcal/mol | PES | Coe, Snodgrass, et al., 1985 | gas phase; ΔrH<; M |
By formula: (H- • H3N) + H3N = (H- • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1995 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.00 | kcal/mol | N/A | Schwartz, Davico, et al., 2000 | gas phase; Vertical Detachment Energy: 2.54±0.015 eV. Affinity is from difference in EAs; B |
By formula: H2N- + H3N = (H2N- • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.00 | kcal/mol | PDis | Snodgrass, Coe, et al., 1989 | gas phase; B |
By formula: (H2N- • H3N) + H3N = (H2N- • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.10 | kcal/mol | Est | Snodgrass, Coe, et al., 1989 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
By formula: H3N+ + H3N = (H3N+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.1 ± 4.6 | kcal/mol | EI | Stephan, Futrell, et al., 1982 | gas phase; M |
ΔrH° | 18.1 | kcal/mol | PI | Ng, Trevor, et al., 1977 | gas phase; M |
By formula: (H3N+ • H3N) + H3N = (H3N+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9. ± 5. | kcal/mol | EI | Breen, Tzeng, et al., 1989 | gas phase; M |
ΔrH° | 9.2 ± 4.6 | kcal/mol | EI | Stephan, Futrell, et al., 1982 | gas phase; M |
By formula: (H4N+ • CHN) + H3N = (H4N+ • H3N • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.8 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 429. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • C4H10O2) + H3N = (H4N+ • H3N • C4H10O2)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; M |
By formula: (H4N+ • H2O) + H3N = (H4N+ • H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 2H2O) + H3N = (H4N+ • H3N • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.2 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 3H2O) + H3N = (H4N+ • H3N • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.3 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: H4N+ + H3N = (H4N+ • H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26. ± 2. | kcal/mol | AVG | N/A | Average of 4 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26. ± 3. | 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 |
---|---|---|---|---|
6.3 | 400. | HPMS | Wincel, 1972 | gas phase; M |
By formula: (H4N+ • H3N • 2CHN) + H3N = (H4N+ • 2H3N • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 315. | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase; Entropy change calculated or estimated; M |
By formula: (H4N+ • H3N • C2H3N) + H3N = (H4N+ • 2H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 2H3N • C2H3N) + H3N = (H4N+ • 3H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 3H3N • C2H3N) + H3N = (H4N+ • 4H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 4H3N • C2H3N) + H3N = (H4N+ • 5H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 5H3N • C2H3N) + H3N = (H4N+ • 6H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 6H3N • C2H3N) + H3N = (H4N+ • 7H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.5 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 7H3N • C2H3N) + H3N = (H4N+ • 8H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • 8H3N • C2H3N) + H3N = (H4N+ • 9H3N • C2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.5 | kcal/mol | MKER | Tzeng, Wei, et al., 1991 | gas phase; from graph; M |
By formula: (H4N+ • H3N • H2O) + H3N = (H4N+ • 2H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.1 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • H3N • 2H2O) + H3N = (H4N+ • 2H3N • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • 2H3N • H2O) + H3N = (H4N+ • 3H3N • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.0 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: (H4N+ • H3N) + H3N = (H4N+ • 2H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. ± 1. | kcal/mol | AVG | N/A | Average of 5 out of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | HPMS | Tang and Castleman, 1975 | gas phase; M |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrS° | 24.8 | cal/mol*K | DT | Long and Franklin, 1973 | gas phase; M |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; typographical error in ΔrH; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; DG>; M |
10.1 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
5.5 | 400. | HPMS | Wincel, 1972 | gas phase; M |
By formula: (H4N+ • 2H3N) + H3N = (H4N+ • 3H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 5. | kcal/mol | AVG | N/A | Average of 6 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. ± 1. | cal/mol*K | AVG | N/A | Average of 4 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; M |
6.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: (H4N+ • 3H3N) + H3N = (H4N+ • 4H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 0.9 | kcal/mol | AVG | N/A | Average of 5 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. ± 2. | cal/mol*K | AVG | N/A | Average of 3 out of 7 values; Individual data points |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; M |
By formula: (H4N+ • 4H3N) + H3N = (H4N+ • 5H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.0 | kcal/mol | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrH° | 7.5 | kcal/mol | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrH° | 7. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
ΔrH° | 2.8 | kcal/mol | TPEPICO | Kamke, Herrmann, et al., 1988 | gas phase; M |
ΔrH° | 9.6 | kcal/mol | DT | Long and Franklin, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrS° | 25. | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase; M |
ΔrS° | 32. | cal/mol*K | DT | Long and Franklin, 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.5 | kcal/mol | HPMS | Hogg, Haynes, et al., 1966 | gas phase; M |
By formula: (H4N+ • 5H3N) + H3N = (H4N+ • 6H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.5 | kcal/mol | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
ΔrH° | 6. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase; M |
By formula: (H4N+ • 6H3N) + H3N = (H4N+ • 7H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 7H3N) + H3N = (H4N+ • 8H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 8H3N) + H3N = (H4N+ • 9H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 9H3N) + H3N = (H4N+ • 10H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 10H3N) + H3N = (H4N+ • 11H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 11H3N) + H3N = (H4N+ • 12H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 12H3N) + H3N = (H4N+ • 13H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 13H3N) + H3N = (H4N+ • 14H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 14H3N) + H3N = (H4N+ • 15H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: (H4N+ • 15H3N) + H3N = (H4N+ • 16H3N)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph; M |
By formula: I- + H3N = (I- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.40 ± 0.30 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.20 ± 0.60 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
By formula: K+ + H3N = (K+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.1 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
ΔrH° | 17.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
ΔrS° | 28.0 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: (K+ • H3N) + H3N = (K+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (K+ • 2H3N) + H3N = (K+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.7 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (K+ • 3H3N) + H3N = (K+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.4 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: Li+ + H3N = (Li+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.1 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
ΔrH° | 38.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.1 | kcal/mol | ICR | Woodin and Beauchamp, 1978 | gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 interpolated; M |
By formula: (Li+ • H3N) + H3N = (Li+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.1 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.7 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Li+ • 2H3N) + H3N = (Li+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Li+ • 3H3N) + H3N = (Li+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.5 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.6 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Li+ • 4H3N) + H3N = (Li+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.1 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.0 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Li+ • 5H3N) + H3N = (Li+ • 6H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: Mg+ + H3N = (Mg+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.8 ± 2.8 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • H3N) + H3N = (Mg+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.2 ± 1.6 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • 2H3N) + H3N = (Mg+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.8 ± 2.1 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • 3H3N) + H3N = (Mg+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 ± 2.5 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • 4H3N) + H3N = (Mg+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.3 ± 2.8 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | 5th ligand is NH3; RCD |
By formula: Mn+ + H3N = (Mn+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.1 ± 1.9 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 36.9 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Mn+ • H3N) + H3N = (Mn+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.3 ± 2.9 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 34.1 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Mn+ • 2H3N) + H3N = (Mn+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.3 ± 2.2 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 11.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Mn+ • 3H3N) + H3N = (Mn+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
+ = H3N2O-
By formula: NO- + H3N = H3N2O-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.40 | kcal/mol | N/A | Hendricks, de Clercq, et al., 2002 | gas phase; B |
By formula: Na+ + H3N = (Na+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.4 ± 1.3 | kcal/mol | CIDC | Amicangelo and Armentrout, 2001 | Anchor NH3=24.41; RCD |
ΔrH° | 24.4 ± 1.3 | kcal/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 25.6 ± 0.2 | kcal/mol | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrH° | 29.1 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21800. | cal/mol*K | HPMS | Hoyau, Norrman, et al., 1999 | RCD |
ΔrS° | 25.7 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
18.6 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • H3N) + H3N = (Na+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Na+ • 2H3N) + H3N = (Na+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.1 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Na+ • 3H3N) + H3N = (Na+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.7 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.0 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Na+ • 4H3N) + H3N = (Na+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.8 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: (Na+ • 5H3N) + H3N = (Na+ • 6H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.7 | cal/mol*K | HPMS | Castleman, Holland, et al., 1978 | gas phase; M |
By formula: Ni+ + H3N = (Ni+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.2 ± 3.8 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 51.2 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Ni+ • H3N) + H3N = (Ni+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.5 ± 3.1 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 55.1 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Ni+ • 2H3N) + H3N = (Ni+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.5 ± 1.9 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 17.8 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (Ni+ • 3H3N) + H3N = (Ni+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 1.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: Pb+ + H3N = (Pb+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (Pb+ • H3N) + H3N = (Pb+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (Pb+ • 2H3N) + H3N = (Pb+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: (Pb+ • 3H3N) + H3N = (Pb+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; ΔrS from graph; M |
By formula: Rb+ + H3N = (Rb+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.7 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.3 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Rb+ • H3N) + H3N = (Rb+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.2 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Rb+ • 2H3N) + H3N = (Rb+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Rb+ • 3H3N) + H3N = (Rb+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.0 | cal/mol*K | HPMS | Castleman, 1978 | gas phase; M |
By formula: (Rb+ • 4H3N) + H3N = (Rb+ • 5H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.2 | kcal/mol | HPMS | Castleman, 1978 | gas phase; M |
By formula: Ti+ + H3N = (Ti+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.6 ± 1.7 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Ti+ • H3N) + H3N = (Ti+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.8 ± 3.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Ti+ • 2H3N) + H3N = (Ti+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.1 ± 3.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: (Ti+ • 3H3N) + H3N = (Ti+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.3 ± 2.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
By formula: V+ + H3N = (V+ • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 45.4 ± 2.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 51.9 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (V+ • H3N) + H3N = (V+ • 2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.2 ± 2.2 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 45.0 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (V+ • 2H3N) + H3N = (V+ • 3H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.9 ± 2.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 22.6 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
By formula: (V+ • 3H3N) + H3N = (V+ • 4H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.7 ± 2.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
ΔrH° | 18.7 | kcal/mol | CID | Marinelli and Squires, 1989 | gas phase; M |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 6 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 3337 | A | 3336.2 | symmetric level | ||||
a1 | 1 | Sym str | 3337 | A | 3337.2 | antisymmetric level | ||||
a1 | 2 | Sym deform | 950 | C | 932.5 | symmetric level | ||||
a1 | 2 | Sym deform | 950 | C | 968.3 | antisymmetric level | ||||
e | 3 | Deg str | 3444 | A | 3443.6 | symmetric level | ||||
e | 3 | Deg str | 3444 | A | 3443.9 | antisymmetric level | ||||
e | 4 | Deg deform | 1627 | A | 1626.1 | symmetric level | ||||
e | 4 | Deg deform | 1627 | A | 1627.4 | antisymmetric level | ||||
Source: Shimanouchi, 1972
Notes
A | 0~1 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PMS-100 | 150. | 118. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 180. | 131. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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]
Timmermans, 1921
Timmermans, J.,
The Freezing Points of Organic Substances IV. New Exp. Determinations,
Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]
Fonseca and Lobo, 1989
Fonseca, I.M.A.; Lobo, L.Q.,
Thermodynamics of liquid mixtures of xenon and methyl fluoride,
Fluid Phase Equilib., 1989, 47, 249. [all data]
Brunner, 1988
Brunner, E.,
Fluid Mixtures at High Pressures VI. Phase Separation and Critical Phenomena in 18 (n-Alkane + Ammonia) and 4 (n-Alkane _ Methanol) Mixtures,
J. Chem. Thermodyn., 1988, 20, 273. [all data]
Hentze, 1977
Hentze, G.,
Critical temperature measurement of liquids by means of differential thermal analysis,
Thermochim. Acta, 1977, 20, 27-30. [all data]
Zander and Thomas, 1979
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Anion solvation at the microscopic level: Photoelectron spectroscopy of the solvated anion clusters, NO-(Y)(n), where Y=Ar, Kr, Xe, N2O, H2S, NH3, H2O, and C2H4(OH)(2),
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. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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) T Temperature Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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