Oxygen cation
- Formula: O2+
- Molecular weight: 31.9983
- IUPAC Standard InChI: InChI=1S/O2/c1-2/q+1
- IUPAC Standard InChIKey: KMHJKRGRIJONSV-UHFFFAOYSA-N
- CAS Registry Number: 12185-07-8
- Chemical structure:
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Ion clustering data
Go To: Top, Constants of diatomic molecules, 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: O2+ + CO2 = (O2+ • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.8 ± 0.9 | kcal/mol | AVG | N/A | Average of 4 out of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.5 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| ΔrS° | 18.9 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=9.80 kcal/mol |
| ΔrS° | 20.7 | cal/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
| ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH> |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.4 | kcal/mol | DT | Rakshit and Warneck, 1981 | gas phase |
| ΔrG° | 4.3 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.4 | 600. | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH> |
( •
) +
= (
• 2
)
By formula: (O2+ • CO2) + CO2 = (O2+ • 2CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.6 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| ΔrH° | 7.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| ΔrS° | 15. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable |
( • 2
) +
= (
• 3
)
By formula: (O2+ • 2CO2) + CO2 = (O2+ • 3CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (O2+ • 3CO2) + CO2 = (O2+ • 4CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (O2+ • 4CO2) + CO2 = (O2+ • 5CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.5 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase |
( • 5
) +
= (
• 6
)
By formula: (O2+ • 5CO2) + CO2 = (O2+ • 6CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.0 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated |
+
= (
•
)
By formula: O2+ + H2O = (O2+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16. | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2+)SO2, ΔrH> |
+
= (
•
)
By formula: O2+ + Kr = (O2+ • Kr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.6 | kcal/mol | PDiss | Jarrold, Misev, et al., 1984 | gas phase |
+
= (
•
)
By formula: O2+ + N2O = (O2+ • N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.4 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| ΔrH° | 10.7 ± 0.4 | kcal/mol | DT | Illies, 1988 | gas phase; ΔrH(0 K)=10.8 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| ΔrS° | 15.3 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=10.8 kcal/mol |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.9 | 200. | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2+)O2 |
( •
) +
= (
• 2
)
By formula: (O2+ • N2O) + N2O = (O2+ • 2N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
( • 2
) +
= (
• 3
)
By formula: (O2+ • 2N2O) + N2O = (O2+ • 3N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (O2+ • 3N2O) + N2O = (O2+ • 4N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.2 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (O2+ • 4N2O) + N2O = (O2+ • 5N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.8 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
( • 5
) +
= (
• 6
)
By formula: (O2+ • 5N2O) + N2O = (O2+ • 6N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.3 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
( • 6
) +
= (
• 7
)
By formula: (O2+ • 6N2O) + N2O = (O2+ • 7N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 3.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994 | gas phase |
+
= (
•
)
By formula: O2+ + N2 = (O2+ • N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.0 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrH° | 5.2 | kcal/mol | HPMS | Speller and Fitaire, 1983 | gas phase |
| ΔrH° | 5.7 | kcal/mol | PHPMS | Janik and Conway, 1967 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.4 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrS° | 15.8 | cal/mol*K | HPMS | Speller and Fitaire, 1983 | gas phase |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Janik and Conway, 1967 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.0 | 296. | FA | Howard, Bierbaum, et al., 1972 | gas phase |
( •
) +
= (
• 2
)
By formula: (O2+ • N2) + N2 = (O2+ • 2N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrH° | 4.3 | kcal/mol | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrS° | 13.8 | cal/mol*K | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
( • 2
) +
= (
• 3
)
By formula: (O2+ • 2N2) + N2 = (O2+ • 3N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrH° | 3.5 | kcal/mol | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| ΔrS° | 12.1 | cal/mol*K | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
( • 3
) +
= (
• 4
)
By formula: (O2+ • 3N2) + N2 = (O2+ • 4N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.0 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.7 | 204. | HPMS | Speller and Fitaire, 1983 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (O2+ • 4N2) + N2 = (O2+ • 5N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.2 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.7 | 184. | HPMS | Speller and Fitaire, 1983 | gas phase |
( • 5
) +
= (
• 6
)
By formula: (O2+ • 5N2) + N2 = (O2+ • 6N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.1 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( • 6
) +
= (
• 7
)
By formula: (O2+ • 6N2) + N2 = (O2+ • 7N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.3 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.5 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( • 7
) +
= (
• 8
)
By formula: (O2+ • 7N2) + N2 = (O2+ • 8N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.1 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( • 8
) +
= (
• 9
)
By formula: (O2+ • 8N2) + N2 = (O2+ • 9N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( • 9
) +
= (
• 10
)
By formula: (O2+ • 9N2) + N2 = (O2+ • 10N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( • 10
) +
= (
• 11
)
By formula: (O2+ • 10N2) + N2 = (O2+ • 11N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.4 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.2 | cal/mol*K | PHPMS | Hiraoka and Nakajima, 1988 | gas phase |
( •
•
) +
= (
• 2
•
)
By formula: (O2+ • N2 • O2) + N2 = (O2+ • 2N2 • O2)
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.5 | 230. | HPMS | Speller and Fitaire, 1983 | gas phase |
+
= (
•
)
By formula: O2+ + O2S = (O2+ • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 9.6 | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2+)O2; Conway and Janik, 1970 |
+
= (
•
)
By formula: O2+ + O2 = (O2+ • O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10. ± 1. | kcal/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.8 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrS° | 25.02 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase |
| ΔrS° | 20. | cal/mol*K | PHPMS | Durden, Kebarle, et al., 1969 | gas phase |
| ΔrS° | 20.6 | cal/mol*K | PHPMS | Yang and Conway, 1964 | gas phase |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.8 | 300. | DT | Rakshit and Warneck, 1981 | gas phase |
| 3.3 | 300. | DT | Rakshit and Warneck, 1980 | gas phase |
| 3.4 | 296. | FA | Howard, Bierbaum, et al., 1972 | gas phase |
| 5.9 | 200. | FA | Adams and Bohme, 1970 | gas phase |
( •
) +
= (
•
•
)
By formula: (O2+ • O2) + N2 = (O2+ • N2 • O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.9 | kcal/mol | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 10.1 | cal/mol*K | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable |
( •
) +
= (
• 2
)
By formula: (O2+ • O2) + O2 = (O2+ • 2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.9 ± 0.3 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrH° | 6.87 ± 0.06 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrS° | 31.78 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase |
( • 2
) +
= (
• 3
)
By formula: (O2+ • 2O2) + O2 = (O2+ • 3O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrH° | 2.5 ± 0.1 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrS° | 19.8 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (O2+ • 3O2) + O2 = (O2+ • 4O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.1 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrH° | 2.46 ± 0.18 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrS° | 23.9 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (O2+ • 4O2) + O2 = (O2+ • 5O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrH° | 1.8 ± 0.7 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
| ΔrS° | 17.0 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase |
( • 5
) +
= (
• 6
)
By formula: (O2+ • 5O2) + O2 = (O2+ • 6O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 0.3 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
( • 6
) +
= (
• 7
)
By formula: (O2+ • 6O2) + O2 = (O2+ • 7O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 0.4 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase |
( • 7
) +
= (
• 8
)
By formula: (O2+ • 7O2) + O2 = (O2+ • 8O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.82 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; Entropy change calculated or estimated |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, 1988 | gas phase; Entropy change calculated or estimated |
+
= (
•
)
By formula: O2+ + O3 = (O2+ • O3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.5 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.5 | cal/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.4 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
Constants of diatomic molecules
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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through March, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| A detailed review of O2+ and its spectrum may be found in Krupenie, 1972. Predicted electronc states and potential functions Beebe, Thulstrup, et al., 1976; contains references to earlier theoretical work. | ||||||||||||
| x2 2Σ- | 532.1 eV 1 | x2 → A | 526.4 eV 2 | |||||||||
| ↳LaVilla, 1975 | ||||||||||||
| (x2 → X) | 531.8 eV 3 | |||||||||||
| ↳LaVilla, 1975 | ||||||||||||
| x1 4Σ- | 531.0 eV 1 | x1 → a | 526.4 eV 2 | |||||||||
| ↳LaVilla, 1975 | ||||||||||||
| Several additional states observed in ESCA studies Siegbahn, Nordling, et al., 1969 and tentatively assigned by Jonathan, Morris, et al., 1974. | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| (2Σg-) | 29.5 eV 4 | |||||||||||
| (4Σg-) | 27.5 eV 4 | |||||||||||
| (2Σu-) | 15.8 eV 5 | |||||||||||
| c 4Σu- | (100914) | [1545] 6 | [1.561] 7 | [6.7E-6] | [1.1620] | c → b V | 51540.7 Z | |||||
| ↳LeBlanc, 1963; missing citation | ||||||||||||
| (2Πu) | (90000) 8 | |||||||||||
| B 2Σg- | 66719 | 1156 9 | 22 9 | (1.298) 10 | ||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| D (2Δg) | 62730 | 920 11 | (12) | (1.33) 12 | ||||||||
| C (2Φu) | (53620) | (900) 13 | ||||||||||
| b 4Σg- | 49552 | 1196.77 Z | 17.09 14 | 1.28729 15 | 0.02206 | 5.81E-6 | 1.85E-7 | 1.27964 | b 16 → a 17 V | 16666.74 Z | ||
| ↳Nevin, 1938; Nevin and Murphy, 1941; Weniger, 1962 | ||||||||||||
| b' (4Πg) | (48000) 18 | b' ← a | ||||||||||
| ↳Moselev, Tadjeddine, et al., 1976 | ||||||||||||
| A 2Πu | 40669.3 19 | 898.25 Z | 13.573 7 | 1.06170 | 0.01936 20 | -1.73E-4 | 5.94E-6 21 | 1.40905 | A 22 → X 23 R | 40068.1 Z | ||
| ↳Bozoky, 1937; Feast, 1950; Bhale and Rao, 1968; Krupenie, 1972; Albritton, Harrop, et al., 1973; Colbourn and Douglas, 1977; Bhale and Narasimham, 1976 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| a 4Πui | 32964 24 | 1035.69 Z | 10.39 14 | 1.10466 | 0.01575 25 | 4.88E-6 25 | 1.38138 | |||||
| X 2Πg | 197.3 26 | 1904.77 Z | 16.259 14 | 1.6913 | 0.01976 27 | 5.32E-6 28 | 1.1164 | |||||
| 0 | 1904.77 Z | 16.259 14 | 1.6913 | 0.01976 27 | 5.32E-6 28 | 1.1164 | ||||||
Notes
| 1 | Removal of a 1s0 electron from the ground state of O2. 31 |
| 2 | Unresolved vertical transitions. |
| 3 | Predicted vertical transition; in the X-ray emission spectrum of LaVilla, 1975 this transition is hidden by an artefact. |
| 4 | Removal of a 2σg electron from the ground state of O2. 32 |
| 5 | Removal of a 2σu electron from the ground state of O2. 33 |
| 6 | Average of values obtained by photoelectron spectroscopy Edqvist, Lindholm, et al., 1970 and from the limits of Codling and Madden's Rydberg series. |
| 7 | Spin splitting constant ε = 0.44 cm-1. Only bands having v'=0 occur in emission; predissociation Edqvist, Lindholm, et al., 1970, Schopman and Locht, 1974. |
| 8 | Diffuse (predissociating) state observed in the photoelectron spectrum of O2; vertical I.P. ~24 eV Edqvist, Lindholm, et al., 1970, Gardner and Samson, 1975. Probably highest 2Πu sate of configuration ...πu3πg2 Dixon and Hull, 1969. |
| 9 | From the limits of Tanaka and Takamine's Rydberg series; in good agreement with constants obtained from photoelectron spectra Edqvist, Lindholm, et al., 1970. Predissociation Doolittle, Schoen, et al., 1968, Schopman and Locht, 1974, Stockdale and Deleanu, 1974. |
| 10 | Franck-Condon factor analysis of photoelectron band intensities Jonathan, Morris, et al., 1974. |
| 11 | Only observed in the photoelectron spectrum of O2(1Δg) Jonathan and Morris, 1971, Jonathan, Morris, et al., 1974; tentatively identified as convergence limit of a fragmentary Rydberg series Lindholm, 1968. Predissociation Schopman and Locht, 1974. |
| 12 | Franck-Condon factor analysis of the photoelectron spectrum Jonathan, Morris, et al., 1974. |
| 13 | Only observed in the photoelectron spectrum of O2(1Δg) Jonathan, Morris, et al., 1974; vibrational numbering uncertain. |
| 14 | RKR potential curves Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979. Calculated Franck-Condon factors for ionizing transitions from X 3Σg-, a 1Δg, b 1Σg+ Halmann and Laulicht, 1965, Asundi and Ramachandrarao, 1969, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979, and for recombination transitions from X 2Πg and a 4Πu to B 3Σu- Krupenie, 1972. Halmann and Laulicht, 1965 give also results for 16O18O and 18O2; note, however, that their calculations for transitions to X 2Πg are based on the previously accepted but now abandoned vibrational numbering for the ground state of O2+ and lead to disagreement with observed photo-electron intensities Spohr and Puttkamer, 1967. Experimental Franck-Condon factors from photoelectron spectra Edqvist, Lindholm, et al., 1970, Gardner and Samson, 1974, Gardner and Samson, 1975. |
| 15 | Spin splitting constant ε =0.1487 cm-1. |
| 16 | Radiative lifetime τ = 1.15 μs Jeunehomme, 1966, Fink and Welge, 1968, Borst and Zipf, 1970, Fairbairn, 1974. |
| 17 | Observed in various discharges Rao, 1963 and in aurorae Nicolet and Dogniaux, 1950, Vegard, 1950, Dahlstrom and Hunten, 1951, Rao, 1964. Excitation by electron impact Nishimura, 1968, by fast ions Herman, Ferguson, et al., 1961, Dufay, Druetta, et al., 1965. Franck-Condon factors Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979. Rotational line strengths Zare, 1972. |
| 18 | Weakly bound state arising from 3P + 4S Beebe, Thulstrup, et al., 1976; in its unstable region observed by laser photofragment spectroscopy. |
| 19 | Av increases from A0 = -3.6 to A15 = +10.0 Bhale, 1972, Albritton, Harrop, et al., 1973, Colbourn and Douglas, 1977, Bhale and Narasimham, 1976. Theoretical interpretation Raftery and Richards, 1975. |
| 20 | Constants fitted to v'≤8 Albritton, Harrop, et al., 1973. Additional Bv values up to v=15 are listed by Colbourn and Douglas, 1977 who also give Λ-type doubling constants. |
| 21 | Dv= +0.06(v+1/2) + 0.012(v+1/2)2 Albritton, Harrop, et al., 1973; the Dv values have been computed Albritton, Harrop, et al., 1973 from the experimental potential curve. |
| 22 | Radiative lifetime τ = 0.69 μs Jeunehomme, 1966, Fink and Welge, 1968. |
| 23 | Excitation by electron impact; its effect on the rotational temperature Branscomb, 1950. Franck-Condon factors Asundi and Ramachandrarao, 1969, Albritton, Schmeltekopf, et al., 1969, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979. |
| 24 | A0...A6 = -47.79 ... -48.01 Kovacs and Weniger, 1962; anomalous dependence on J of the multiplet splitting Budo and Kovacs, 1955, Kovacs and Weniger, 1962. Te calculated from the limit (b 4Σg-) of Tanaka and Takamine's Rydberg series with I.P (O2), v00(b→a), and the constants for a, X. |
| 25 | Constants representing v=0,1,2; βe = -0.095~E-6, v=0,1,2 Nevin, 1938. For v = 3...6, see Nevin and Murphy, 1941, Weniger, 1962. Slightly different constants in Veseth, 1975. |
| 26 | Av decreases from A0 = +200.33 Colbourn and Douglas, 1977 to A10 = +192.05 Albritton, Harrop, et al., 1973. See also Raftery and Richards, 1975. |
| 27 | Constants fitted to v≤10 Albritton, Harrop, et al., 1973. Selected Bv values have been reevaluated from more precise measurements by Colbourn and Douglas, 1977 who also give improved Λ-type doubling constants. |
| 28 | Dv= +0.03E-6(v+1/2) + ... Albritton, Harrop, et al., 1973; Dv computed from RKR potential Albritton, Harrop, et al., 1973. |
| 29 | D00(O2) + I.P.(O) - I.P.(O2) |
| 30 | From the electron impact appearance potential of O2++, A.P. = 36.3 eV Dorman and Morrison, 1963, and I.P.(O2). Daly and Powell, 1967 give A.P. = 37.2 eV. |
| 31 | Highly excited states (K limits) observed in X-ray photo-electron Siegbahn, Nordling, et al., 1969 and emission LaVilla, 1975 spectra. |
| 32 | Observed in the low-resolution X-ray photoelectron spectrum of Siegbahn, Nordling, et al., 1969. In the 304 Å photoelectron spectrum Gardner and Samson, 1975, 2, Gardner and Samson, 1975 find a very broad maximum corresponding to 4Σg- and two sharp peaks (I.P. 40.33 and 40.40 eV) corresponding to 2Σg-. |
| 33 | Observed in the X-ray photoelectron spectrum Siegbahn, Nordling, et al., 1969. A very weak broad maximum appears near 27.5 eV in the 304 Å photoelectron spectrum of Edqvist, Lindholm, et al., 1970; not confirmed by Gardner and Samson, 1975. See also Jonathan, Morris, et al., 1974. |
References
Go To: Top, Ion clustering data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hiraoka, Nakajima, et al., 1988
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Bhale and Narasimham, 1976
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Gardner and Samson, 1975
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Stockdale and Deleanu, 1974
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Lindholm, 1968
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Halmann and Laulicht, 1965
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Asundi and Ramachandrarao, 1969
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Spohr and Puttkamer, 1967
Spohr, R.; Puttkamer, E.v.,
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Gardner and Samson, 1974
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Jeunehomme, 1966
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Fink and Welge, 1968
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Borst and Zipf, 1970
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Fairbairn, 1974
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Radiative lifetime of O2+,
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Rao, 1963
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Vibrational intensities of the O2+ (first negative) bands,
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Nouvelles suggestions au sujet de l'interpretation du spectre des aurores,
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Vegard, 1950
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Nouveaux resultats importants dans l'etude du spectre des aurores boreales et la physique de l'ionosphere,
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Dahlstrom and Hunten, 1951
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O2+ and H in the auroral spectrum,
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Rao, 1964
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A comparison of intensities of the O2+ (first negative) bands excited in a hollow-cathode discharge and in aurorae,
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Nishimura, 1968
Nishimura, H.,
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Herman, Ferguson, et al., 1961
Herman, L.; Ferguson, H.I.S.; Nicholls, R.W.,
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Dufay, Druetta, et al., 1965
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Zare, 1972
Zare, R.N.,
Rotational line strengths: the O2+b4Σg- - a4Πu band system
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Bhale, 1972
Bhale, G.L.,
Spin-orbit coupling constant in the A2Πu state of O2+,
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Raftery and Richards, 1975
Raftery, J.; Richards, W.G.,
On the variation of the spin-orbit coupling in O2+,
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Branscomb, 1950
Branscomb, L.M.,
Anomalous molecular rotation and the temperature of the upper atmosphere,
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Albritton, Schmeltekopf, et al., 1969
Albritton, D.L.; Schmeltekopf, A.L.; Zare, R.N.,
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Kovacs and Weniger, 1962
Kovacs, I.; Weniger, S.,
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Budo and Kovacs, 1955
Budo, A.; Kovacs, I.,
Uber den 4Π-Zustand des O2+-Molekuls,
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Veseth, 1975
Veseth, L.,
Fine structure of 4Π states in diatomic molecules,
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Dorman and Morrison, 1963
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Ionization potentials of doubly charged oxygen and nitrogen,
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Daly and Powell, 1967
Daly, N.R.; Powell, R.E.,
Electron collisions in oxygen,
Proc. Phys. Soc. (London), 1967, 90, 629. [all data]
Gardner and Samson, 1975, 2
Gardner, J.L.; Samson, J.A.R.,
Vibrational structure in the photoelectron spectrum of O2+2Σg-(σg2s),
Chem. Phys. Lett., 1975, 32, 315. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]
Notes
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- 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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