NH4+
- Formula: H4N+
- Molecular weight: 18.0379
- IUPAC Standard InChIKey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
- CAS Registry Number: 14798-03-9
- Chemical structure:
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- Other data available:
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 93
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Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: H4N+ + CHN = (H4N+ • CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
ΔrH° | 20.5 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
ΔrS° | 20.2 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
By formula: (H4N+ • CHN) + CHN = (H4N+ • 2CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
By formula: (H4N+ • 2CHN) + CHN = (H4N+ • 3CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
By formula: (H4N+ • 3CHN) + CHN = (H4N+ • 4CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
By formula: (H4N+ • 4CHN) + CHN = (H4N+ • 5CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.9 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
By formula: (H4N+ • 5CHN) + CHN = (H4N+ • 6CHN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
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 |
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 |
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 |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
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 |
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 |
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 |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
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 |
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 |
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 |
By formula: H4N+ + CH4 = (H4N+ • CH4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.6 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.5 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase; Entropy change is questionable |
By formula: H4N+ + CO2 = (H4N+ • CO2)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.3 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase |
By formula: H4N+ + C2H3N = (H4N+ • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.6 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: (H4N+ • C2H3N) + C2H3N = (H4N+ • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.4 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: (H4N+ • 2C2H3N) + C2H3N = (H4N+ • 3C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: (H4N+ • 3C2H3N) + C2H3N = (H4N+ • 4C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.7 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: H4N+ + C2H4 = (H4N+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 294. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
By formula: H4N+ + C2N2 = (H4N+ • C2N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.4 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 315. | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
By formula: H4N+ + C3HN = (H4N+ • C3HN)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.9 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
By formula: H4N+ + C3H6O = (H4N+ • C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: (H4N+ • C3H6O) + C3H6O = (H4N+ • 2C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: (H4N+ • 2C3H6O) + C3H6O = (H4N+ • 3C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: (H4N+ • 3C3H6O) + C3H6O = (H4N+ • 4C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: (H4N+ • 4C3H6O) + C3H6O = (H4N+ • 5C3H6O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | N/A | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.5 | 215. | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; Entropy change calculated or estimated |
By formula: H4N+ + C3H8O2 = (H4N+ • C3H8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: H4N+ + C4H7N = (H4N+ • C4H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.4 | kcal/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase |
By formula: H4N+ + C4H8 = (H4N+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation |
ΔrH° | 34.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+ |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 37.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation |
ΔrS° | 39.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+ |
By formula: H4N+ + C4H10O2 = (H4N+ • C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38. ± 3. | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; possible ether decomposition |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase; possible ether decomposition |
By formula: (H4N+ • C4H10O2) + C4H10O2 = (H4N+ • 2C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.5 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: (H4N+ • 2C4H10O2) + C4H10O2 = (H4N+ • 3C4H10O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), Sieck, et al., 1996 | gas phase |
By formula: H4N+ + C6H4F2 = (H4N+ • C6H4F2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.1 | 395. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated |
By formula: H4N+ + C6H5F = (H4N+ • C6H5F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.4 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
By formula: H4N+ + C6H6 = (H4N+ • C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.3 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
By formula: (H4N+ • C6H6) + C6H6 = (H4N+ • 2C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.5 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: (H4N+ • 2C6H6) + C6H6 = (H4N+ • 3C6H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.9 | cal/mol*K | PHPMS | Liebman, Romm, et al., 1991 | gas phase |
By formula: H4N+ + C6H12 = (H4N+ • C6H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 317. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH< |
By formula: H4N+ + C9H12 = (H4N+ • C9H12)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.8 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase |
By formula: H4N+ + H2O = (H4N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase |
ΔrH° | 19.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrH° | 17.3 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
By formula: (H4N+ • 2H2O) + CO2 = (H4N+ • CO2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 1.3 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line |
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small |
ΔrH° | 14.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; ΔrH?, Entropy change is questionable, appear out of line |
ΔrS° | 22.0 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.6 | 414. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small |
By formula: (H4N+ • 2H2O) + H2O = (H4N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase |
ΔrH° | 13.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • 3H2O) + H2O = (H4N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrH° | 12.2 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrS° | 27.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.0 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • 4H2O) + H2O = (H4N+ • 5H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrH° | 9.7 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
By formula: (H4N+ • 5H2O) + H2O = (H4N+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.1 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.2 | 266. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
By formula: (H4N+ • 6H2O) + H2O = (H4N+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.8 | 254. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 35.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.5 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
By formula: (H4N+ • H2O) + O2S = (H4N+ • O2S • H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.4 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • 2H2O) + O2S = (H4N+ • O2S • 2H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.0 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • 3H2O) + O2S = (H4N+ • O2S • 3H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.6 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields |
By formula: (H4N+ • H2O • O2S) + H2O = (H4N+ • 2H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.4 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields |
By formula: (H4N+ • 2H2O • O2S) + H2O = (H4N+ • 3H2O • O2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields |
By formula: H4N+ + H2S = (H4N+ • H2S)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase |
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 |
By formula: (H4N+ • H3N) + CHN = (H4N+ • CHN • H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.2 | kcal/mol | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.5 | cal/mol*K | PHPMS | Deakyne, Knuth, et al., 1994 | gas phase |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.8 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 34.3 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase |
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 |
ΔrS° | 23.7 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase |
ΔrS° | 24.8 | cal/mol*K | DT | Long and Franklin, 1973 | gas phase |
ΔrS° | 26.8 | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; typographical error in ΔrH |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7 | 296. | FA | Fehsenfeld and Ferguson, 1973 | gas phase; DG> |
10.1 | 296. | SAMS | Puckett and Teague, 1971 | gas phase |
5.5 | 400. | HPMS | Wincel, 1972 | gas phase |
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 |
6.4 | 296. | SAMS | Puckett and Teague, 1971 | gas phase |
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 |
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 |
ΔrH° | 7.5 | kcal/mol | PHPMS | Searles and Kebarle, 1968 | gas phase |
ΔrH° | 7. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph |
ΔrH° | 2.8 | kcal/mol | TPEPICO | Kamke, Herrmann, et al., 1988 | gas phase |
ΔrH° | 9.6 | kcal/mol | DT | Long and Franklin, 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.5 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase |
ΔrS° | 25. | cal/mol*K | PHPMS | Searles and Kebarle, 1968 | gas phase |
ΔrS° | 32. | cal/mol*K | DT | Long and Franklin, 1973 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.5 | kcal/mol | HPMS | Hogg, Haynes, et al., 1966 | gas phase |
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 |
ΔrH° | 6. | kcal/mol | MKER | Wei, Tzeng, et al., 1990 | gas phase; from graph |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Arshadi and Futrell, 1974 | gas phase |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
By formula: H4N+ + N2 = (H4N+ • N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 5. | kcal/mol | DT | Gheno and Fitaire, 1987 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31. | cal/mol*K | DT | Gheno and Fitaire, 1987 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Ion clustering data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
f2 | 3 | NH stretch | 3343.14 | gas | LD CC | Crofton and Oka, 1983 Schaeffer, Begemann, et al., 1983 Schafer, Saykally, et al., 1984 Keim, Polak, et al., 1990 | |
3 | NH stretch | 3343.1 | H | gas | PF | Dopfer, Nizkorodov, et al., 1996 Lakin, Olkhov, et al., 2001 | |
3 | NH stretch | 3344.0 | gas | PF | Lakin, Olkhov, et al., 2001 | ||
3 | NH stretch | 3335.8 | A | gas | PF | Bieske, Nizkorodov, et al., 1996 Dopfer, Nizkorodov, et al., 1997 Lakin, Dopfer, et al., 2000 Lakin, Dopfer, et al., 2000, 2 | |
3 | NH stretch | 3357.5 | Ne | IR | Jacox and Thompson, 2005 | ||
4 | Deformation | 1447.22 | gas | DL | Polak, Gruebele, et al., 1989 Park, Xia, et al., 1996 | ||
4 | Deformation | 1442.5 | Ne | IR | Jacox and Thompson, 2005 | ||
Additional references: Jacox, 1994, page 229; Jacox, 1998, page 266; Crofton and Oka, 1987; Signorell, Palm, et al., 1997
Notes
H | (1/2)(2ν) |
A | 0~1 cm-1 uncertainty |
References
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites,
J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020
. [all data]
Bennet and Field, 1972
Bennet, S.L.; Field, F.H.,
Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures,
J. Am. Chem. Soc., 1972, 94, 18, 6305, https://doi.org/10.1021/ja00773a009
. [all data]
Spears and Fehsenfeld, 1972
Spears, K.G.; Fehsenfeld, F.C.,
Termolecular Association Reactions of Mg, Ca, and Ba Ions,
J. Chem. Phys., 1972, 56, 11, 5698, https://doi.org/10.1063/1.1677091
. [all data]
Liebman, Romm, et al., 1991
Liebman, J.F.; Romm, M.J.; Meot-Ner (Mautner), M.; Cybulski, S.M.; Scheiner, S.,
Isotropy in ionic interactions. 2. How spherical is the ammonium ion? Comparison of the gas-phase clustering energies and condensed-phase thermochemistry of K+ and NH4+,
J. Phys. Chem., 1991, 95, 3, 1112, https://doi.org/10.1021/j100156a018
. [all data]
Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M.,
Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives,
J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034
. [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]
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]
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]
Meot-Ner (Mautner) and Speller, 1986
Meot-Ner (Mautner), M.; Speller, C.V.,
The Filling of Solvent Shells in Cluster Ions: Thermochemical Criteria nd the Effects of Isomeric Clusters,
J. Phys. Chem., 1986, 90, 25, 6616, https://doi.org/10.1021/j100283a006
. [all data]
Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration,
J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016
. [all data]
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]
Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V.,
Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions,
J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543
. [all data]
Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W.,
The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters,
J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021
. [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]
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]
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]
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]
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]
Gheno and Fitaire, 1987
Gheno, F.; Fitaire, M.,
Association of N2 with NH4+ and H3O+(H2O)n, n = 1,2,3,
J. Chem. Phys., 1987, 87, 2, 953, https://doi.org/10.1063/1.453250
. [all data]
Crofton and Oka, 1983
Crofton, M.; Oka, T.,
Infrared studies of molecular ions. I. The ν3 band of NH4+,
J. Chem. Phys., 1983, 79, 6, 3157, https://doi.org/10.1063/1.446147
. [all data]
Schaeffer, Begemann, et al., 1983
Schaeffer, E.; Begemann, M.H.; Gudeman, C.S.; Saykally, R.J.,
The ν3 vibrational spectrum of the free ammonium ion (NH4+),
J. Chem. Phys., 1983, 79, 6, 3159, https://doi.org/10.1063/1.446148
. [all data]
Schafer, Saykally, et al., 1984
Schafer, E.; Saykally, R.J.; Robiette, A.G.,
A high resolution study of the ν3 band of the ammonium ion (NH+4) by velocity modulation laser absorption spectroscopy,
J. Chem. Phys., 1984, 80, 9, 3969, https://doi.org/10.1063/1.447279
. [all data]
Keim, Polak, et al., 1990
Keim, E.R.; Polak, M.L.; Owrutsky, J.C.; Coe, J.V.; Saykally, R.J.,
Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams,
J. Chem. Phys., 1990, 93, 5, 3111, https://doi.org/10.1063/1.458845
. [all data]
Dopfer, Nizkorodov, et al., 1996
Dopfer, O.; Nizkorodov, S.A.; Meuwly, M.; Bieske, E.J.; Maier, J.P.,
The ν3 infrared spectrum of the He«58872»NH4+ complex,
Chem. Phys. Lett., 1996, 260, 5-6, 545, https://doi.org/10.1016/0009-2614(96)00919-0
. [all data]
Lakin, Olkhov, et al., 2001
Lakin, N.M.; Olkhov, R.V.; Dopfer, O.,
Internal rotation in NH4+--Rg dimers (Rg=He, Ne, Ar): Potential energy surfaces and IR spectra of the ν3 band,
Faraday Discuss., 2001, 118, 455, https://doi.org/10.1039/b010232f
. [all data]
Bieske, Nizkorodov, et al., 1996
Bieske, E.J.; Nizkorodov, S.A.; Dopfer, O.; Maier, J.P.; Stickland, R.J.; Cotterell, B.J.; Howard, B.J.,
Observation of the infrared spectrum of the ν3 band of the argon-ammonium ionic complex,
Chem. Phys. Lett., 1996, 250, 3-4, 266, https://doi.org/10.1016/0009-2614(96)00029-2
. [all data]
Dopfer, Nizkorodov, et al., 1997
Dopfer, O.; Nizkorodov, S.A.; Meuwly, M.; Bieske, E.J.; Maier, J.P.,
Microsolvation of the ammonium ion in argon: infrared spectra of NH4+«58872»Arn complexes (n = 1--7),
Int. J. Mass Spectrom. Ion Proc., 1997, 167/168, 637, https://doi.org/10.1016/S0168-1176(97)00111-0
. [all data]
Lakin, Dopfer, et al., 2000
Lakin, N.M.; Dopfer, O.; Meuwly, M.; Howard, B.J.; Maier, J.P.,
The intermolecular potential of NH,
Mol. Phys., 2000, 98, 2, 63, https://doi.org/10.1080/00268970009483270
. [all data]
Lakin, Dopfer, et al., 2000, 2
Lakin, N.M.; Dopfer, O.; Howard, B.J.; Maier, J.P.,
The inter molecular potential of NH,
Mol. Phys., 2000, 98, 2, 81, https://doi.org/10.1080/00268970009483271
. [all data]
Jacox and Thompson, 2005
Jacox, M.E.; Thompson, W.E.,
Infrared spectrum of the NH4-dn+ cation trapped in solid neon,
Phys. Chem. Chem. Phys., 2005, 7, 5, 768, https://doi.org/10.1039/b414641g
. [all data]
Polak, Gruebele, et al., 1989
Polak, M.; Gruebele, M.; DeKock, B.W.; Saykally, R.J.,
Velocity modulation infrared laser spectroscopy of molecular ions,
Mol. Phys., 1989, 66, 6, 1193, https://doi.org/10.1080/00268978900100801
. [all data]
Park, Xia, et al., 1996
Park, J.; Xia, C.; Selby, S.; Foster, S.C.,
The ν4Band of Ammonium, NH+4,
J. Mol. Spectrosc., 1996, 179, 1, 150, https://doi.org/10.1006/jmsp.1996.0193
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Crofton and Oka, 1987
Crofton, M.W.; Oka, T.,
Observation of forbidden transitions of ammonium ion (NH+4) ν3 band and determination of ground state rotational constants. Observation of ν3 band allowed transitions of ND+4,
J. Chem. Phys., 1987, 86, 11, 5983, https://doi.org/10.1063/1.452484
. [all data]
Signorell, Palm, et al., 1997
Signorell, R.; Palm, H.; Merkt, F.,
Structure of the ammonium radical from a rotationally resolved photoelectron spectrum,
J. Chem. Phys., 1997, 106, 16, 6523, https://doi.org/10.1063/1.473653
. [all data]
Notes
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
T Temperature 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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