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
- Gas phase ion energetics data
- Ion clustering data
- Gas Chromatography
- 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, 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.
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, 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 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, 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 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, 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: 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. |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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, IR Spectrum, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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, IR Spectrum, Mass spectrum (electron ionization), 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 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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
Zander, Manfred; Thomas, Wilhelm,
Some thermodynamic properties of liquid ammonia: PVT data, vapor pressure, and critical temperature,
J. Chem. Eng. Data, 1979, 24, 1, 1-2, https://doi.org/10.1021/je60080a003
. [all data]
Overstreet and Giauque, 1937
Overstreet, Roy; Giauque, W.F.,
Ammonia. The Heat Capacity and Vapor Pressure of Solid and Liquid. Heat of Vaporization. The Entropy Values from Thermal and Spectroscopic Data,
J. Am. Chem. Soc., 1937, 59, 2, 254-259, https://doi.org/10.1021/ja01281a008
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Fehsenfeld and Ferguson, 1973
Fehsenfeld, F.C.; Ferguson, E.E.,
Thermal Energy Positive Ion Reactions in a Wet Atmosphere Containing Ammonia,
J. Chem. Phys., 1973, 59, 12, 6272, https://doi.org/10.1063/1.1680006
. [all data]
Puckett and Teague, 1971
Puckett, L.J.; Teague, M.W.,
Ion-Molecule Reactions in NO - NH3 Gas Mixtures,
J. Chem. Phys., 1971, 54, 11, 4860, https://doi.org/10.1063/1.1674763
. [all data]
Tang and Castleman, 1975
Tang, I.N.; Castleman, A.W.,
Gas - Phase Solvation of the Ammonium Ion in Ammonia,
J. Chem. Phys., 1975, 62, 11, 4576, https://doi.org/10.1063/1.430331
. [all data]
Arshadi and Futrell, 1974
Arshadi, M.R.; Futrell, J.H.,
Studies in High - Pressure Mass Spectrometry. V. Thermodynamics of Solvation Reactions. NH4+ - NH3,
J. Phys. Chem., 1974, 78, 15, 1482, https://doi.org/10.1021/j100608a008
. [all data]
Long and Franklin, 1973
Long, J.W.; Franklin, J.L.,
Ion-Cluster Reactions in a Drift Tube Ion Source,
Int. J. Mass Spectrom. Ion Phys, 1973, 12, 5, 403, https://doi.org/10.1016/0020-7381(73)80025-7
. [all data]
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,
J. Phys. Chem., 1968, 72, 2, 742, https://doi.org/10.1021/j100848a061
. [all data]
Payzant, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P.,
Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w,
Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485
. [all data]
Wincel, 1972
Wincel, H.,
Ion-Molecule Reactions in Ammonia at High Pressures,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 3, 267, https://doi.org/10.1016/0020-7381(72)80053-6
. [all data]
Tschurl and Boesl, 2008
Tschurl, M.; Boesl, U.,
IR-photodissociation and photodetachment spectroscopy of Cl-center dot(NH3)(x) (IR : x=1-4, PD : x=1),
Chem. Phys. Lett., 2008, 456, 4-6, 150-155, https://doi.org/10.1016/j.cplett.2008.03.041
. [all data]
Evans, Keesee, et al., 1987
Evans, D.H.; Keesee, R.G.; Castleman Jr.,
The Association of Ammonia with Halide Ions in the Gas Phase,
J. Chem. Phys., 1987, 86, 5, 2927, https://doi.org/10.1063/1.452043
. [all data]
Markovich, Chesnovsky, et al., 1993
Markovich, G.; Chesnovsky, O.; Kaldor, U.,
Charge Transfer Excitations in the Photoelectron Spectrum of Cl-NH3: Experiment and calculation, J. Chem. Phys, 1993, https://doi.org/10.1063/1.465913
. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Wei, Tzeng, et al., 1990
Wei, S.; Tzeng, W.B.; Castleman, A.W.,
Kinetic Energy Release Measurements of Ammonia Cluster Ions During Metastable Decomposition and Determination of Cluster Ion Binding Energies,
J. Chem. Phys., 1990, 92, 1, 332, https://doi.org/10.1063/1.458434
. [all data]
Kamke, Herrmann, et al., 1988
Kamke, W.; Herrmann, R.; Wang, Z.; Hertel, I.V.,
On the Photoionization and Fragmentation of Ammonia Clusters using TPEPICO,
Z. Phys. D., 1988, 10, 4, 491, https://doi.org/10.1007/BF01425768
. [all data]
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,
J. Am. Chem. Soc., 1966, 88, 1, 28, https://doi.org/10.1021/ja00953a006
. [all data]
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,
J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
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,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
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,
J. Am. Chem. Soc., 1978, 100, 19, 6039, https://doi.org/10.1021/ja00487a011
. [all data]
Wickham-Jones, Ervin, et al., 1989
Wickham-Jones, C.T.; Ervin, K.M.; Ellison, G.B.; Lineberger, W.C.,
NH2 Electron Affinity,
J. Chem. Phys., 1989, 91, 4, 2762, https://doi.org/10.1063/1.456994
. [all data]
MacKay, Hemsworth, et al., 1976
MacKay, G.J.; Hemsworth, R.S.; Bohme, D.K.,
Absolute gas-phase acidities of CH3NH2, C2H5NH2, (CH3)2NH, and (CH3)3N,
Can. J. Chem., 1976, 54, 1624. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W.,
Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range,
J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012
. [all data]
Szulejko and McMahon, 1991
Szulejko, J.E.; McMahon, T.B.,
A Pulsed Electron Beam, Variable Temperature, High Pressure Mass Spectrometric Reevaluation of the Proton Affinity Difference Between 2-Methylpropene and Ammonia,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 279, https://doi.org/10.1016/0168-1176(91)85109-Y
. [all data]
Meot-Ner (Mautner) and Sieck, 1990
Meot-Ner (Mautner), M.; Sieck, L.W.,
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,
J. Phys. Chem., 1990, 94, 19, 7730, https://doi.org/10.1021/j100382a076
. [all data]
Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B.,
Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments,
Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8
. [all data]
Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n
. [all data]
Hoyau, Norrman, et al., 1999
Hoyau, S.; Norrman, K.; McMahon, T.B.; Ohanessian, G.,
A Quantitative Basis for a Scale of Na+ Affinities of Organic and Small Biological Molecules in the Gas Phase,
J. Am. Chem. Soc., 1999, 121, 38, 8864, https://doi.org/10.1021/ja9841198
. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
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,
Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]
Deakyne, Knuth, et al., 1994
Deakyne, C.A.; Knuth, D.M.; Speller, C.V.; Meot-Ner (Mautner), M.; Sieck, L.W.,
Filling of Solvent Shells about Ions. Part 3. Isomeric Clusters of (HCN)n(NH3)mH+,
J. Mol. Structure (Theochem), 1994, 307, 217, https://doi.org/10.1016/0166-1280(94)80130-4
. [all data]
Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G.,
Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions,
Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103
. [all data]
Castleman, 1978
Castleman, A.W.,
The Properties of Clusters in the Gas Phase: Ammonia about Bi+, Rb+, and K+,
Chem. Phys. Lett., 1978, 53, 3, 560, https://doi.org/10.1016/0009-2614(78)80069-4
. [all data]
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,
J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011
. [all data]
Meot-Ner (Mautner), Sieck, et al., 1996
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.,
Complexing of the Ammonium Ion by Polyethers. Comparative Complexing Thermochemistry of Ammonium, Hydronium, and Alkali Cations,
J. Phys. Chem., 1996, 100, 16, 6445, https://doi.org/10.1021/jp9514943
. [all data]
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,
J. Phys. Chem., 1995, 99, 24, 9675, https://doi.org/10.1021/j100024a006
. [all data]
Coe, Snodgrass, et al., 1985
Coe, J.V.; Snodgrass, J.T.; Friedhoff, C.B.; McHugh, K.M.; Bowen, K.H.,
Negative ion photoelectron spectroscopy of the negative ion H-(NH3),
J. Chem. Phys., 1985, 83, 3169. [all data]
Walter and Armentrout, 1998
Walter, D.; Armentrout, P.B.,
Periodic Trends in Chemical Reactivity: Reactions of Sc+, Y+, La+, and Lu+ with H2, D2 and HD,
J. Am. Chem. Soc., 1998, 120, 13, 3176, https://doi.org/10.1021/ja973202c
. [all data]
Holland and Castleman, 1982
Holland, P.M.; Castleman, A.W.,
The Thermochemical Properties of Gas - Phase Transition Metal Ion Complexes,
J. Chem. Phys., 1982, 76, 8, 4195, https://doi.org/10.1063/1.443497
. [all data]
Guo and Castleman, 1991
Guo, B.C.; Castleman, A.W.,
The Clustering Reactions of Na+ and Pb+ with Several Important Ligands,
Zeit. Phys. D., 1991, 19, 1-4, 397, https://doi.org/10.1007/BF01448337
. [all data]
Yamdagni and Kebarle, 1974
Yamdagni, R.; Kebarle, P.,
The hydrogen bond energies in ClHCl- and Cl-(HCl)n,
Can. J. Chem., 1974, 52, 2449. [all data]
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,
J. Chem. Phys., 1989, 92, xxxx. [all data]
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,
J. Phys. Chem., 1991, 95, 15, 5757, https://doi.org/10.1021/j100168a011
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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