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
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Gas phase thermochemistry data
Go To: Top, 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.
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 |
Reaction thermochemistry data
Go To: Top, Gas phase 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 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 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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
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Fehsenfeld and Ferguson, 1973
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Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W.,
Ion-Molecule Reactions in NO - NH3 Gas Mixtures,
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Tang and Castleman, 1975
Tang, I.N.; Castleman, A.W.,
Gas - Phase Solvation of the Ammonium Ion in Ammonia,
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Arshadi and Futrell, 1974
Arshadi, M.R.; Futrell, J.H.,
Studies in High - Pressure Mass Spectrometry. V. Thermodynamics of Solvation Reactions. NH4+ - NH3,
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Long and Franklin, 1973
Long, J.W.; Franklin, J.L.,
Ion-Cluster Reactions in a Drift Tube Ion Source,
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Searles and Kebarle, 1968
Searles, S.K.; Kebarle, P.,
Ion-Solvent-Molecule Interactions in the Gas Phase. Enthalpies and Entropies for the Reactions NH4+(NH3)(n-1) + NH3 = NH4+(NH3)n,
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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,
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Ion-Molecule Reactions in Ammonia at High Pressures,
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Evans, D.H.; Keesee, R.G.; Castleman Jr.,
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Larson and McMahon, 1984
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Kamke, Herrmann, et al., 1988
Kamke, W.; Herrmann, R.; Wang, Z.; Hertel, I.V.,
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Hogg, Haynes, et al., 1966
Hogg, A.M.; Haynes, R.M.; Kebarle, P.,
Ion-Solvent Molecule Interactions Studied in the Gas Phase. Heats and Entropies of Individual Steps. NH4+.(n-1)NH3 = NH4+.nNH3,
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Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L.,
Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids,
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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,
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Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
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Castleman, Holland, et al., 1978
Castleman, A.W.; Holland, P.M.; Lindsay, D.M.; Peterson, K.I.,
The Properties of Clusters in the Gas Phase. 2. Ammonia about Metal Ions,
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Wickham-Jones, Ervin, et al., 1989
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NH2 Electron Affinity,
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MacKay, Hemsworth, et al., 1976
MacKay, G.J.; Hemsworth, R.S.; Bohme, D.K.,
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A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia,
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Meot-Ner (Mautner) and Sieck, 1990
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Ion Thermochemistry at High Temperatures. 1. Thermochemistry of the Ammonium Ion from Variable - Temperature Equilibrium Measurements. Proton Transfer, Association, and Decomposition Reactions in Ammonia, Isobutene, and t-Butylamine,
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Amicangelo and Armentrout, 2001
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Armentrout and Rodgers, 2000
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Hoyau, Norrman, et al., 1999
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A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase,
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McMahon and Ohanessian, 2000
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Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E.,
A high-pressure mass spectrometric study of the binding of (CH3)3Sn+ to lewis bases in the gas phase,
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Deakyne, Knuth, et al., 1994
Deakyne, C.A.; Knuth, D.M.; Speller, C.V.; Meot-Ner (Mautner), M.; Sieck, L.W.,
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Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
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Castleman, 1978
Castleman, A.W.,
The Properties of Clusters in the Gas Phase: Ammonia about Bi+, Rb+, and K+,
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Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P.,
Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M,
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Meot-Ner (Mautner), Sieck, et al., 1996
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.,
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Snodgrass, Coe, et al., 1995
Snodgrass, J.T.; Coe, J.V.; Freidhoff, C.B.; Mchugh, K.M.; Arnold, S.T.; Bowen, K.H.,
Negative ion photoelectron spectroscopy of NH2-(NH3)1 and NH2-(NH3)2: Gas phase basicities of partially solvated anions,
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Coe, Snodgrass, et al., 1985
Coe, J.V.; Snodgrass, J.T.; Friedhoff, C.B.; McHugh, K.M.; Bowen, K.H.,
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Walter and Armentrout, 1998
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Periodic Trends in Chemical Reactivity: Reactions of Sc+, Y+, La+, and Lu+ with H2, D2 and HD,
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Holland and Castleman, 1982
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Guo and Castleman, 1991
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The Clustering Reactions of Na+ and Pb+ with Several Important Ligands,
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Yamdagni and Kebarle, 1974
Yamdagni, R.; Kebarle, P.,
The hydrogen bond energies in ClHCl- and Cl-(HCl)n,
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Snodgrass, Coe, et al., 1989
Snodgrass, J.T.; Coe, J.V.; Freidhoff, C.B.; McHugh, K.M.; Bowen, K.H.,
Photoelectron Spectroscopy of the Negative Cluster Ions, NH2-(NH3)n=1,2,
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Tzeng, Wei, et al., 1991
Tzeng, W.B.; Wei, S.; Castleman, A.W.,
Stability, Structure and Binding - Energies of Solvated Cluster Ions - Ammonia Acetonitrile and Ammonia Acetaldehyde Systems,
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. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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