NH4+
- Formula: H4N+
- Molecular weight: 18.0379
- IUPAC Standard InChI: InChI=1S/H3N/h1H3/p+1
- IUPAC Standard InChIKey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
- CAS Registry Number: 14798-03-9
- Chemical structure:
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- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 93
- Ion clustering data
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Reaction thermochemistry data
Go To: Top, 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: 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. 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
( • 3
) +
= (
• 4
)
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 |
( • 2
) +
= (
• 3
)
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 |
( •
) +
= (
• 2
)
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+ + 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 |
( •
) +
= (
• 2
)
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 |
( • 4
) +
= (
• 5
)
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 |
( • 2
) +
= (
• 3
)
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+ + 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 |
( • 3
•
) +
= (
• 4
•
)
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 |
( • 3
) +
= (
• 4
)
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+ + 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+ + 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< |
( •
• 2
) +
= (
• 2
• 2
)
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 |
( •
• 2
) +
= (
• 2
• 2
)
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+ • 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 |
( • 4
) +
= (
• 5
)
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+ + 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+ + 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+ + 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 |
( • 4
) +
= (
• 5
)
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 |
( • 5
) +
= (
• 6
)
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 |
( • 5
) +
= (
• 6
)
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 |
( • 6
) +
= (
• 7
)
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+ + 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 |
( • 2
) +
= (
•
• 2
)
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 |
( •
• 2
) +
= (
• 2
• 2
)
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 |
( •
• 2
) +
= (
• 2
• 2
)
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 |
( • 2
•
) +
= (
• 3
•
)
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 |
( • 2
•
) +
= (
• 3
•
)
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 |
( •
•
) +
= (
• 2
•
)
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 |
( •
•
) +
= (
• 2
•
)
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 |
( • 2
) +
= (
•
• 2
)
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 |
( • 2
) +
= (
•
• 2
)
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 |
( • 3
) +
= (
•
• 3
)
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 |
( • 3
) +
= (
•
• 3
)
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 |
( • 2
•
) +
= (
• 3
•
)
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+ • 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 |
( •
•
) +
= (
• 2
•
)
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+ • 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+ • 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+ + 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+ + 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+ + 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 |
( • 2
•
) +
= (
• 3
•
)
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 |
( •
•
) +
= (
• 2
•
)
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 |
( • 2
•
) +
= (
• 3
•
)
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 |
( • 3
•
) +
= (
• 4
•
)
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 |
( • 4
•
) +
= (
• 5
•
)
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 |
( • 5
•
) +
= (
• 6
•
)
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 |
( • 6
•
) +
= (
• 7
•
)
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 |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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]
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]
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]
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]
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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