Oxygen
- Formula: O2
- Molecular weight: 31.9988
- IUPAC Standard InChIKey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
- CAS Registry Number: 7782-44-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Molecular oxygen; Oxygen molecule; Pure oxygen; O2; Liquid oxygen; UN 1072; UN 1073; Dioxygen
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: O2- + O2 = (O2- • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. ± 4. | kcal/mol | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
ΔrS° | 32. | cal/mol*K | PHPMS | Conway and Nesbit, 1968 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.2 ± 1.1 | kcal/mol | TDAs | Hiraoka, 1888 | gas phase; see also Sherwood, Hanold, et al., 1996. Aquino, Taylor, et al., 2001 calns indicate rectangular anion; B |
ΔrG° | 5.4 ± 1.0 | kcal/mol | IMRE | Payzant J.D. and Kebarle, 1972 | gas phase; B |
ΔrG° | 3.2 ± 1.0 | kcal/mol | IMRE | Pack and Phelps, 1971 | gas phase; B |
ΔrG° | 4.00 ± 0.50 | kcal/mol | IMRE | Parkes, 1971 | gas phase; B |
ΔrG° | 3.8 ± 1.0 | kcal/mol | TDAs | Conway and Nesbit, 1968 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.5 | 300. | DT | Pack and Phelps, 1971 | gas phase; M |
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; M |
ΔrS° | 25.02 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase; M |
ΔrS° | 20. | cal/mol*K | PHPMS | Durden, Kebarle, et al., 1969 | gas phase; M |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Yang and Conway, 1964 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.8 | 300. | DT | Rakshit and Warneck, 1981 | gas phase; M |
3.3 | 300. | DT | Rakshit and Warneck, 1980 | gas phase; M |
3.4 | 296. | FA | Howard, Bierbaum, et al., 1972 | gas phase; M |
5.9 | 200. | FA | Adams and Bohme, 1970 | gas phase; M |
By formula: (HO2+ • 2O2) + O2 = (HO2+ • 3O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.7 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 3.2 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Saluja, et al., 1979 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.1 | 105. | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; Entropy change calculated or estimated; M |
By formula: (O2- • 7N2 • O2) + N2 = (O2- • 8N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
ΔrH° | 1.53 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
ΔrS° | 18.0 | cal/mol*K | N/A | Hiraoka, 1988, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: O- + O2 = (O- • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32. | kcal/mol | PDiss | Hiller and Vestal, 1981 | gas phase; From thermochemical cycle, ΔrH<; M |
ΔrH° | 39.0 | kcal/mol | PES | Novich, Engelking, et al., 1979 | gas phase; From thermochemical cycle, from EA(O3), D(O-O2) AND EA(O); M |
ΔrH° | 38. | kcal/mol | PDiss | Cosby, Moseley, et al., 1978 | gas phase; M |
ΔrH° | 42. | kcal/mol | CID | Lifschitz, Wu, et al., 1978 | gas phase; M |
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; M |
ΔrH° | 6.87 ± 0.06 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
ΔrS° | 31.78 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase; M |
By formula: (HO2+ • O2) + O2 = (HO2+ • 2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrH° | 6.6 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
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; M |
ΔrH° | 2.46 ± 0.18 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
ΔrS° | 23.9 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase; M |
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; M |
ΔrH° | 2.5 ± 0.1 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase; M |
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; M |
ΔrH° | 1.8 ± 0.7 | kcal/mol | PHPMS | Conway and Janik, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
ΔrS° | 17.0 | cal/mol*K | PHPMS | Conway and Janik, 1970 | gas phase; M |
By formula: O3- + O2 = (O3- • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.10 ± 0.20 | kcal/mol | TDAs | Hiraoka, 1988, 2 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -3.60 ± 0.50 | kcal/mol | TDAs | Hiraoka, 1988, 2 | gas phase; B |
By formula: NO- + O2 = (NO- • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.5 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
-0.4 | 200. | FA | Dunkin, Fehsenfeld, et al., 1971 | gas phase; DG>; M |
By formula: (O2- • 6O2) + O2 = (O2- • 7O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.40 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16. | cal/mol*K | N/A | Hiraoka, 1988 | gas phase; Entropy change calculated or estimated; M |
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; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, 1988 | gas phase; Entropy change calculated or estimated; M |
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; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 10.1 | cal/mol*K | HPMS | Speller and Fitaire, 1983 | gas phase; Entropy change is questionable; M |
By formula: (H3+ • O2) + O2 = (H3+ • 2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; From thermochemical cycle(O2H+)O2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; From thermochemical cycle(O2H+)O2; M |
By formula: (O3- • 4O2) + O2 = (O3- • 5O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.54 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; ΔrH, ΔrS approximate; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.4 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; ΔrH, ΔrS approximate; M |
By formula: H3+ + O2 = (H3+ • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.5 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; From thermochemical cycle(O2H+)O2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; From thermochemical cycle(O2H+)O2; M |
(O2S- • 2 • ) + = (O2S- • 3 • )
By formula: (O2S- • 2O2S • O2) + O2S = (O2S- • 3O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.5 ± 3.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • O2S • O2) + O2S = (O2S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.40 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.5 ± 2.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O3S- • O2S • O2) + O2S = (O3S- • 2O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.70 ± 0.60 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.6 ± 2.1 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: O+ + O2 = (O+ • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.9 | kcal/mol | PDiss | Hiller and Vestal, 1982 | gas phase; M |
ΔrH° | 48. | kcal/mol | PI | Linn, Ono, et al., 1981 | gas phase; M |
ΔrH° | 49.9 | kcal/mol | PDiss | Mosely, Ozenne, et al., 1981 | gas phase; M |
By formula: (O3S- • O2) + O2S = (O3S- • O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.80 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 2.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2S- • O2) + O2S = (O2S- • O2S • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 ± 1.0 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.2 ± 2.2 | kcal/mol | TDAs | Vacher, Jorda, et al., 1992 | gas phase; B |
By formula: (O2- • 2N2 • O2) + N2 = (O2- • 3N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.3 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (O2- • 3N2 • O2) + N2 = (O2- • 4N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.2 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (O2- • 4N2 • O2) + N2 = (O2- • 5N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (O2- • 5N2 • O2) + N2 = (O2- • 6N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.5 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (O2- • 6N2 • O2) + N2 = (O2- • 7N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.8 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (O2- • N2 • O2) + N2 = (O2- • 2N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.8 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: (NO- • 2O2) + O2 = (NO- • 3O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.8 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 3O2) + O2 = (NO- • 4O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 4O2) + O2 = (NO- • 5O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • O2) + O2 = (NO- • 2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (HO2+ • 3O2) + O2 = (HO2+ • 4O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • 4O2) + O2 = (HO2+ • 5O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • 5O2) + O2 = (HO2+ • 6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.0 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • 6O2) + O2 = (HO2+ • 7O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.0 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • 7O2) + O2 = (HO2+ • 8O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • 8O2) + O2 = (HO2+ • 9O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.7 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.6 | cal/mol*K | PHPMS | Hiraoka and Mori, 1989 | gas phase; M |
By formula: (HO2+ • O2) + H2 = (HO2+ • H2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 | kcal/mol | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | PHPMS | Hiraoka, Saluja, et al., 1979 | gas phase; M |
By formula: (O2- • O2) + N2 = (O2- • N2 • O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.5 | cal/mol*K | PHPMS | Hiraoka, 1988, 2 | gas phase; M |
By formula: 2C2H6S + O2 = 2C2H6OS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -66.36 ± 0.20 | kcal/mol | Cm | Douglas, 1946 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -66.5 ± 0.2 kcal/mol; At 291°K; ALS |
By formula: C2H6O2S = C2H6OS + 0.5O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.16 ± 0.20 | kcal/mol | Cm | Douglas, 1946 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 59.0 ± 0.2 kcal/mol; At 291°K; ALS |
By formula: (O2- • 2O2) + O2 = (O2- • 3O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.4 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
By formula: (O2- • 3O2) + O2 = (O2- • 4O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 0.3 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.4 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
By formula: (O2- • 4O2) + O2 = (O2- • 5O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.4 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
By formula: (O2- • 5O2) + O2 = (O2- • 6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.2 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
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; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
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; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka, 1988 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to O2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 12.0697 ± 0.0002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 101. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 94.72 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.4480 ± 0.0060 | LPES | Ervin, Anusiewicz, et al., 2003 | B |
0.4510 ± 0.0070 | LPES | Travers, Cowles, et al., 1989 | B |
0.4400 ± 0.0080 | LPES | Celotta, Bennett, et al., 1972 | 89SAW puts DH(H-O2.) at 59 kcal/mol, implying ΔHacid=362.5; B |
0.451 ± 0.052 | ECD | Chen and Wentworth, 1983 | B |
0.44 ± 0.10 | CIDT | Tiernan and Wu, 1978 | From O2-; B |
0.40 ± 0.10 | NBIE | Durup, Parlant, et al., 1977 | B |
0.450 ± 0.024 | ETS | Burrow, 1974 | B |
0.50 ± 0.10 | NBIE | Baeda, 1972 | B |
0.430 ± 0.030 | LPES | Celotta, Bennett, et al., 1971 | B |
0.460 ± 0.050 | NBIE | Nalley and Compton, 1971 | B |
>0.45 ± 0.10 | Endo | Tiernan, Hughes, et al., 1971 | B |
0.50 ± 0.20 | NBIE | Lacmann and Herschbach, 1970 | B |
0.430 ± 0.020 | Kine | Pack and Phelps, 1966 | B |
>0.479998 | Endo | Berkowitz, Chupka, et al., 1971 | B |
>0.56 ± 0.10 | Endo | Chantry, 1971 | B |
0.725005 | ECD | Chen and Chen, 2003 | B |
>1.27 ± 0.20 | Endo | Bailey and Mahadevan, 1970 | B |
1.119 ± 0.069 | IMRB | Vogt, Hauffle, et al., 1970 | B |
>1.10 ± 0.10 | EIAE | Stockdale, Compton, et al., 1969 | From NO2; B |
0.150 ± 0.050 | PD | Burch, Smith, et al., 1958 | B |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
100.6 ± 0.8 | Litorja and Ruscic, 1998 | T = 298K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.0697 ± 0.0002 | S | Tonkyn, Winniczek, et al., 1989 | LL |
12.1 ± 0.1 | EI | Grade, Wienecke, et al., 1983 | LBLHLM |
12.8 ± 0.5 | EI | Gomez, Chatillon, et al., 1982 | LBLHLM |
12.0 ± 1.0 | S | Farber, Srivastava, et al., 1982 | LBLHLM |
12.076 ± 0.002 | PE | MacNeil and Dixon, 1977 | LLK |
12.071 | PE | Kronebusch and Berkowitz, 1976 | LLK |
12.071 ± 0.001 | PE | Samson and Gardner, 1975 | LLK |
12.0 ± 0.5 | EI | Hildenbrand, 1975 | LLK |
12.2 ± 0.2 | EI | Bennett, Lin, et al., 1974 | LLK |
12.07 ± 0.01 | PI | Tanaka and Tanaka, 1973 | LLK |
12.08 | PE | Natalis, 1973 | LLK |
12.077 | PE | Dromey, Morrison, et al., 1973 | LLK |
12.127 | PE | Vilesov and Lopatin, 1972 | LLK |
12.072 ± 0.008 | PI | Dibeler and Walker, 1967 | RDSH |
12.059 ± 0.001 | S | Samson and Cairns, 1966 | RDSH |
12.078 ± 0.005 | PI | Brehm, 1966 | RDSH |
12.065 ± 0.003 | PI | Nicholson, 1963 | RDSH |
12.08 ± 0.01 | PI | Watanabe, 1957 | RDSH |
12.30 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
12.33 ± 0.01 | PE | Banna and Shirley, 1976 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
O+ | 18.734 | O | PIPECO | Blyth, Powis, et al., 1981 | LLK |
O+ | 17.28 | O- | PI | Oertel, Schenk, et al., 1980 | LLK |
O+ | 18.69 ± 0.04 | O | EI | Locht and Schopman, 1974 | LLK |
O+ | 17.3 ± 0.2 | O- | EI | Locht and Momigny, 1971 | LLK |
O+ | 17.25 ± 0.01 | O- | PI | Dibeler and Walker, 1967 | RDSH |
O+ | 17.272 ± 0.024 | O- | PI | Elder, Villarejo, et al., 1965 | RDSH |
O+ | 18.8 ± 0.4 | O | PI | Weissler, Samson, et al., 1959 | RDSH |
O+ | 18.99 ± 0.05 | O | EI | Frost and McDowell, 1959 | RDSH |
Anion protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.99 ± 0.72 | kcal/mol | D-EA | Travers, Cowles, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 346.67 ± 0.82 | kcal/mol | H-TS | Travers, Cowles, et al., 1989 | gas phase; B |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Heats of formation of liquid methyl sulfoxide and crystalline methyl sulfone at 18°,
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Collisional ionization of cesium by oxygen: The electron affinity of O2,
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Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
Z. Naturforsch., 1966, 21a, 196. [all data]
Nicholson, 1963
Nicholson, A.J.C.,
Photo-ionization efficiency curves. Measurement of ionization potentials and interpretation of fine structure,
J. Chem. Phys., 1963, 39, 954. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Banna and Shirley, 1976
Banna, M.S.; Shirley, D.A.,
Molecular photoelectron spectroscopy at 132.3 eV: N2, CO, C2H4 and O2,
J. Electron Spectrosc. Relat. Phenom., 1976, 8, 255. [all data]
Blyth, Powis, et al., 1981
Blyth, R.C.G.; Powis, I.; Danby, C.J.,
Competing pre-dissociations of O2+(B 2Σg-),
Chem. Phys. Lett., 1981, 84, 272. [all data]
Oertel, Schenk, et al., 1980
Oertel, H.; Schenk, H.; Baumgartel, H.,
Ion pair formation from photon irradiation of O2, NO and CO in 17-30 eV,
Chem. Phys., 1980, 46, 251. [all data]
Locht and Schopman, 1974
Locht, R.; Schopman, J.,
The dissociative ionization in oxygen,
Int. J. Mass Spectrom. Ion Phys., 1974, 15, 361. [all data]
Locht and Momigny, 1971
Locht, R.; Momigny, J.,
Mass spectrometric study of ion-pair processes in diatomic molecules: H2, CO, NO and O2,
Int. J. Mass Spectrom. Ion Phys., 1971, 7, 121. [all data]
Elder, Villarejo, et al., 1965
Elder, F.A.; Villarejo, D.; Inghram, M.G.,
Electron affinity of oxygen,
J. Chem. Phys., 1965, 43, 758. [all data]
Weissler, Samson, et al., 1959
Weissler, G.L.; Samson, J.A.R.; Ogawa, M.; Cook, G.R.,
Photoionization analysis by mass spectroscopy,
J. Opt. Soc. Am., 1959, 49, 338. [all data]
Frost and McDowell, 1959
Frost, D.C.; McDowell, C.A.,
Recent electron impact studies on simple molecules (O2, Cl2, I2),
Advan. Mass Spectrom., 1959, 1, 413. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy 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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