Oxygen

Formula: O₂
Molecular weight: 31.9988
IUPAC Standard InChI: InChI=1S/O2/c1-2
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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Information on this page:
Other data available:
- Gas phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 70
- Henry's Law data
- Gas phase ion energetics data
- Ion clustering data
- Mass spectrum (electron ionization)
- Fluid Properties
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Reaction thermochemistry data

Go To: Top, Constants of diatomic molecules, References, Notes

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

+ Oxygen = ( • Oxygen )

By formula: O₂^- + O₂ = (O₂^- • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48. ± 20.	kJ/mol	AVG	N/A	Average of 5 out of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	102.	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	130.	J/mol*K	PHPMS	Conway and Nesbit, 1968	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 4.6	kJ/mol	TDAs	Hiraoka, 1888	gas phase; see also Sherwood, Hanold, et al., 1996. Aquino, Taylor, et al., 2001 calns indicate rectangular anion; B
Δ_rG°	23. ± 4.2	kJ/mol	IMRE	Payzant J.D. and Kebarle, 1972	gas phase; B
Δ_rG°	13. ± 4.2	kJ/mol	IMRE	Pack and Phelps, 1971	gas phase; B
Δ_rG°	16.7 ± 2.1	kJ/mol	IMRE	Parkes, 1971	gas phase; B
Δ_rG°	16. ± 4.2	kJ/mol	TDAs	Conway and Nesbit, 1968	gas phase; B

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
15.	300.	DT	Pack and Phelps, 1971	gas phase; M

+ Oxygen = ( • Oxygen )

By formula: O₂⁺ + O₂ = (O₂⁺ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41. ± 5.	kJ/mol	AVG	N/A	Average of 5 out of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	78.7	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	104.7	J/mol*K	PHPMS	Conway and Janik, 1970	gas phase; M
Δ_rS°	84.	J/mol*K	PHPMS	Durden, Kebarle, et al., 1969	gas phase; M
Δ_rS°	86.2	J/mol*K	PHPMS	Yang and Conway, 1964	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
16.	300.	DT	Rakshit and Warneck, 1981	gas phase; M
14.	300.	DT	Rakshit and Warneck, 1980	gas phase; M
14.	296.	FA	Howard, Bierbaum, et al., 1972	gas phase; M
25.	200.	FA	Adams and Bohme, 1970	gas phase; M

(HO₂⁺ • 2 Oxygen ) + Oxygen = (HO₂⁺ • 3 Oxygen )

By formula: (HO₂⁺ • 2O₂) + O₂ = (HO₂⁺ • 3O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	13.	kJ/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	76.6	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	84.	J/mol*K	N/A	Hiraoka, Saluja, et al., 1979	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
4.6	105.	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; Entropy change calculated or estimated; M

( • 7 • Oxygen ) + = ( • 8 • Oxygen )

By formula: (O₂^- • 7N₂ • O₂) + N₂ = (O₂^- • 8N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7. ± 1.	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Δ_rH°	6.40	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.9	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M
Δ_rS°	75.3	J/mol*K	N/A	Hiraoka, 1988, 2	gas phase; Entropy change calculated or estimated; M

O^- + Oxygen = (O^- • Oxygen )

By formula: O^- + O₂ = (O^- • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	130.	kJ/mol	PDiss	Hiller and Vestal, 1981	gas phase; From thermochemical cycle, Δ_rH<; M
Δ_rH°	163.	kJ/mol	PES	Novich, Engelking, et al., 1979	gas phase; From thermochemical cycle, from EA(O3), D(O-O2) AND EA(O); M
Δ_rH°	160.	kJ/mol	PDiss	Cosby, Moseley, et al., 1978	gas phase; M
Δ_rH°	180.	kJ/mol	CID	Lifschitz, Wu, et al., 1978	gas phase; M

( • Oxygen ) + Oxygen = ( • 2 Oxygen )

By formula: (O₂⁺ • O₂) + O₂ = (O₂⁺ • 2O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	25. ± 1.	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rH°	28.7 ± 0.3	kJ/mol	PHPMS	Conway and Janik, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	133.0	J/mol*K	PHPMS	Conway and Janik, 1970	gas phase; M

(HO₂⁺ • Oxygen ) + Oxygen = (HO₂⁺ • 2 Oxygen )

By formula: (HO₂⁺ • O₂) + O₂ = (HO₂⁺ • 2O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	29. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rH°	28.	kJ/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.7	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Δ_rS°	92.	J/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

( • 3 Oxygen ) + Oxygen = ( • 4 Oxygen )

By formula: (O₂⁺ • 3O₂) + O₂ = (O₂⁺ • 4O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rH°	10.3 ± 0.75	kJ/mol	PHPMS	Conway and Janik, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.7	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	100.	J/mol*K	PHPMS	Conway and Janik, 1970	gas phase; M

( • 2 Oxygen ) + Oxygen = ( • 3 Oxygen )

By formula: (O₂⁺ • 2O₂) + O₂ = (O₂⁺ • 3O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.4 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rH°	10.6 ± 0.4	kJ/mol	PHPMS	Conway and Janik, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	78.2	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	82.8	J/mol*K	PHPMS	Conway and Janik, 1970	gas phase; M

( • 4 Oxygen ) + Oxygen = ( • 5 Oxygen )

By formula: (O₂⁺ • 4O₂) + O₂ = (O₂⁺ • 5O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.0 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rH°	8. ± 3.	kJ/mol	PHPMS	Conway and Janik, 1970	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.5	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M
Δ_rS°	71.1	J/mol*K	PHPMS	Conway and Janik, 1970	gas phase; M

O₃^- + Oxygen = (O₃^- • Oxygen )

By formula: O₃^- + O₂ = (O₃^- • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.79 ± 0.84	kJ/mol	TDAs	Hiraoka, 1988, 2	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.5	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-15.1 ± 2.1	kJ/mol	TDAs	Hiraoka, 1988, 2	gas phase; B

+ Oxygen = ( • Oxygen )

By formula: NO^- + O₂ = (NO^- • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.1 ± 0.8	kJ/mol	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	60.7	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
-2.	200.	FA	Dunkin, Fehsenfeld, et al., 1971	gas phase; DG>; M

( • 6 Oxygen ) + Oxygen = ( • 7 Oxygen )

By formula: (O₂^- • 6O₂) + O₂ = (O₂^- • 7O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.86	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	67.	J/mol*K	N/A	Hiraoka, 1988	gas phase; Entropy change calculated or estimated; M

( • 7 Oxygen ) + Oxygen = ( • 8 Oxygen )

By formula: (O₂⁺ • 7O₂) + O₂ = (O₂⁺ • 8O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.61	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	N/A	Hiraoka, 1988	gas phase; Entropy change calculated or estimated; M

( • Oxygen ) + = ( • • Oxygen )

By formula: (O₂⁺ • O₂) + N₂ = (O₂⁺ • N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.	kJ/mol	HPMS	Speller and Fitaire, 1983	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	42.3	J/mol*K	HPMS	Speller and Fitaire, 1983	gas phase; Entropy change is questionable; M

(H₃⁺ • Oxygen ) + Oxygen = (H₃⁺ • 2 Oxygen )

By formula: (H₃⁺ • O₂) + O₂ = (H₃⁺ • 2O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.1	kJ/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; From thermochemical cycle(O2H+)O2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	92.	J/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; From thermochemical cycle(O2H+)O2; M

(O₃^- • 4 Oxygen ) + Oxygen = (O₃^- • 5 Oxygen )

By formula: (O₃^- • 4O₂) + O₂ = (O₃^- • 5O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.44	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; Δ_rH, Δ_rS approximate; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	68.6	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; Δ_rH, Δ_rS approximate; M

H₃⁺ + Oxygen = (H₃⁺ • Oxygen )

By formula: H₃⁺ + O₂ = (H₃⁺ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.3	kJ/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; From thermochemical cycle(O2H+)O2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	82.0	J/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; From thermochemical cycle(O2H+)O2; M

(O₂S^- • 2 • Oxygen ) + = (O₂S^- • 3 • Oxygen )

By formula: (O₂S^- • 2O₂S • O₂) + O₂S = (O₂S^- • 3O₂S • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.1 ± 1.7	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6. ± 13.	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B

(O₂S^- • • Oxygen ) + = (O₂S^- • 2 • Oxygen )

By formula: (O₂S^- • O₂S • O₂) + O₂S = (O₂S^- • 2O₂S • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.2 ± 1.7	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 8.4	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B

(O₃S^- • • Oxygen ) + = (O₃S^- • 2 • Oxygen )

By formula: (O₃S^- • O₂S • O₂) + O₂S = (O₃S^- • 2O₂S • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.8 ± 2.5	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	15. ± 8.8	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B

+ Oxygen = ( • Oxygen )

By formula: O⁺ + O₂ = (O⁺ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	179.	kJ/mol	PDiss	Hiller and Vestal, 1982	gas phase; M
Δ_rH°	200.	kJ/mol	PI	Linn, Ono, et al., 1981	gas phase; M
Δ_rH°	209.	kJ/mol	PDiss	Mosely, Ozenne, et al., 1981	gas phase; M

(O₃S^- • Oxygen ) + = (O₃S^- • • Oxygen )

By formula: (O₃S^- • O₂) + O₂S = (O₃S^- • O₂S • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.2 ± 3.3	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 9.2	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B

(O₂S^- • Oxygen ) + = (O₂S^- • • Oxygen )

By formula: (O₂S^- • O₂) + O₂S = (O₂S^- • O₂S • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 4.2	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26. ± 9.2	kJ/mol	TDAs	Vacher, Jorda, et al., 1992	gas phase; B

( • 2 • Oxygen ) + = ( • 3 • Oxygen )

By formula: (O₂^- • 2N₂ • O₂) + N₂ = (O₂^- • 3N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.3 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	76.6	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • 3 • Oxygen ) + = ( • 4 • Oxygen )

By formula: (O₂^- • 3N₂ • O₂) + N₂ = (O₂^- • 4N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	78.2	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • 4 • Oxygen ) + = ( • 5 • Oxygen )

By formula: (O₂^- • 4N₂ • O₂) + N₂ = (O₂^- • 5N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.1 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	81.6	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • 5 • Oxygen ) + = ( • 6 • Oxygen )

By formula: (O₂^- • 5N₂ • O₂) + N₂ = (O₂^- • 6N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.6 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	81.6	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • 6 • Oxygen ) + = ( • 7 • Oxygen )

By formula: (O₂^- • 6N₂ • O₂) + N₂ = (O₂^- • 7N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.1 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	78.7	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • • Oxygen ) + = ( • 2 • Oxygen )

By formula: (O₂^- • N₂ • O₂) + N₂ = (O₂^- • 2N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.7 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	74.9	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

( • 2 Oxygen ) + Oxygen = ( • 3 Oxygen )

By formula: (NO^- • 2O₂) + O₂ = (NO^- • 3O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.8 ± 0.8	kJ/mol	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	65.7	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M

( • 3 Oxygen ) + Oxygen = ( • 4 Oxygen )

By formula: (NO^- • 3O₂) + O₂ = (NO^- • 4O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.2 ± 0.8	kJ/mol	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	67.4	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M

( • 4 Oxygen ) + Oxygen = ( • 5 Oxygen )

By formula: (NO^- • 4O₂) + O₂ = (NO^- • 5O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.8 ± 0.8	kJ/mol	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	80.3	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M

( • Oxygen ) + Oxygen = ( • 2 Oxygen )

By formula: (NO^- • O₂) + O₂ = (NO^- • 2O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.1 ± 0.8	kJ/mol	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	65.7	J/mol*K	PHPMS	Hiraoka and Yamabe, 1991	gas phase; M

(HO₂⁺ • 3 Oxygen ) + Oxygen = (HO₂⁺ • 4 Oxygen )

By formula: (HO₂⁺ • 3O₂) + O₂ = (HO₂⁺ • 4O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.3	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • 4 Oxygen ) + Oxygen = (HO₂⁺ • 5 Oxygen )

By formula: (HO₂⁺ • 4O₂) + O₂ = (HO₂⁺ • 5O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.6	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • 5 Oxygen ) + Oxygen = (HO₂⁺ • 6 Oxygen )

By formula: (HO₂⁺ • 5O₂) + O₂ = (HO₂⁺ • 6O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	93.3	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • 6 Oxygen ) + Oxygen = (HO₂⁺ • 7 Oxygen )

By formula: (HO₂⁺ • 6O₂) + O₂ = (HO₂⁺ • 7O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	94.1	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • 7 Oxygen ) + Oxygen = (HO₂⁺ • 8 Oxygen )

By formula: (HO₂⁺ • 7O₂) + O₂ = (HO₂⁺ • 8O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.3	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • 8 Oxygen ) + Oxygen = (HO₂⁺ • 9 Oxygen )

By formula: (HO₂⁺ • 8O₂) + O₂ = (HO₂⁺ • 9O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7. ± 1.	kJ/mol	PHPMS	Hiraoka and Mori, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	86.2	J/mol*K	PHPMS	Hiraoka and Mori, 1989	gas phase; M

(HO₂⁺ • Oxygen ) + = (HO₂⁺ • • Oxygen )

By formula: (HO₂⁺ • O₂) + H₂ = (HO₂⁺ • H₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.	kJ/mol	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/mol*K	PHPMS	Hiraoka, Saluja, et al., 1979	gas phase; M

( • Oxygen ) + = ( • • Oxygen )

By formula: (O₂^- • O₂) + N₂ = (O₂^- • N₂ • O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.0 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	69.0	J/mol*K	PHPMS	Hiraoka, 1988, 2	gas phase; M

2 + Oxygen = 2

By formula: 2C₂H₆S + O₂ = 2C₂H₆OS

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-277.7 ± 0.84	kJ/mol	Cm	Douglas, 1946	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS

= + 0.5 Oxygen

By formula: C₂H₆O₂S = C₂H₆OS + 0.5O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	243.3 ± 0.84	kJ/mol	Cm	Douglas, 1946	liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS

( • 2 Oxygen ) + Oxygen = ( • 3 Oxygen )

By formula: (O₂^- • 2O₂) + O₂ = (O₂^- • 3O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.0 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.1	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

( • 3 Oxygen ) + Oxygen = ( • 4 Oxygen )

By formula: (O₂^- • 3O₂) + O₂ = (O₂^- • 4O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7. ± 1.	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.4	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

( • 4 Oxygen ) + Oxygen = ( • 5 Oxygen )

By formula: (O₂^- • 4O₂) + O₂ = (O₂^- • 5O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.4 ± 0.8	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.4	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

( • 5 Oxygen ) + Oxygen = ( • 6 Oxygen )

By formula: (O₂^- • 5O₂) + O₂ = (O₂^- • 6O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6. ± 1.	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	67.8	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

( • 5 Oxygen ) + Oxygen = ( • 6 Oxygen )

By formula: (O₂⁺ • 5O₂) + O₂ = (O₂⁺ • 6O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8. ± 1.	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

( • 6 Oxygen ) + Oxygen = ( • 7 Oxygen )

By formula: (O₂⁺ • 6O₂) + O₂ = (O₂⁺ • 7O₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8. ± 2.	kJ/mol	PHPMS	Hiraoka, 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	91.6	J/mol*K	PHPMS	Hiraoka, 1988	gas phase; M

Constants of diatomic molecules

Go To: Top, Reaction thermochemistry data, References, Notes

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through March, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹⁶O₂
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
A detailed review of the entire spectrum of molecular oxygen has been published by Krupenie, 1972. Potential energy diagrams Gilmore, 1965, Freund, 1971, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979; predicted electronic states and potential functions Buenker and Peyerimhoff, 1975, Moss and Goddard, 1975, Beebe, Thulstrup, et al., 1976.
Several Rydberg states converging to the oxygen K limits at 543.1(⁴Σ^-) and 544.2(²Σ^-) eV, in X-ray absorption and electron energy loss spectrum.
↳Nakamura, Morioka, et al., 1971; Wight and Brion, 1974; LaVilla, 1975
Z (³Π_u) 2											Z ← X	532 eV 1
Z (³Π_u) 2	↳Nakamura, Morioka, et al., 1971; Wight and Brion, 1974; LaVilla, 1975
Absorption cross sections and cross sections fot the production of atomic fluorescence by photodissociation in the region 175 - 850 Angstrom (570000 - 115000 cm^-1) Lee, Carlson, et al., 1973, Watson, Lang, et al., 1973, Carlson, 1974, Lee, Carlson, et al., 1974. Earlier results in Weissler and Lee, 1952, Aboud, Curtis, et al., 1955, De Reilhac and Damany-Astoin, 1964.
Rydberg	Rydberg states with the outer electrons in 3sσ, 3pσ, 3dσ orbitals and the O₂⁺ core in the highest ...1π_u³1π_g² ²Π_u state have been tentatively identified in the electroionizaton spectrum O₂ at 20.73, 21.75, 22.28 eV, respectively.
	Codling and Madden's Rydberg series converging to c ⁴Σ_u⁺(v=0) of O₂⁺:
	ν = 198125 - R/(n-0.16)² n=3(Y state), 4...11 3, 4 Similar series with v'=1.
	↳Codling and Madden, 1965
	ν = 198125 - R/(n-0.95)² n=3(W state), 4...8 3, 4, 5 Similar series with v'=1.
	↳Codling and Madden, 1965
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
Y	(184440) 3	[1510]			4						Y ← X	184410
Y	↳missing citation
W (³Σ_u^-)	(168290) 3	[1510]			4						W ← X	168260
W (³Σ_u^-)	↳missing citation
V	Yoshino and Tanaka's weak Rydberg series converging to B ²Σ_g^-(v=0) of O₂⁺:
	ν = 163700 - R/(n-0.54)² n=6(V state), 7...12.3 Similar series with v'=1,2,3.
	↳Yoshino and Tanaka, 1968
	(160270) 3	(1100)									V ← X	160031
	↳Yoshino and Tanaka, 1968
Rydberg	Tanaka and Takamine's strong Rydberg s. of R shaded dif. b. converging to B ²Σ_g^-(v=0) of O₂⁺:
	ν = 163702 - R/(n-0.70)² n=3(U state),4...23.3,6 Similar series with v'=1,2,3.
	↳Tanaka and Takamine, 1941; Ogawa, 1968; Yoshino and Tanaka, 1968
	Fragments of Rydberg series (155000 - 160000 cm^-1) converging to D ²Δ_g of O₂⁺.
	↳Lindholm, 1968
	Namioka, Ogawa and Tanaka's Rydberg s. of weak R shaded b. converging to b ⁴Σ_g^-(v=0) of O₂⁺:
	ν = 1465607 - R/(n-0.53)² n=4(R state),5...16.3 Similar series with v'=1,2.
	↳Namioka, Ogawa, et al., 1962; Yoshino and Tanaka, 1968
	Tanaka and Takamine's Rydberg s. of strong R shaded b. converging to b ⁴Σ_g^-(v=0) of O₂⁺:
	ν = 1465567 - R/(n-0.68)² n=4(Q state),5...30.3,8 Similar series with v'=1...4.
	↳Tanaka and Takamine, 1941; Namioka, Ogawa, et al., 1962; Yoshino and Tanaka, 1968
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
U	142548 3	1148 H	23		6						U ← X R	142329 H
U	↳Tanaka and Takamine, 1941; Ogawa, 1968
R	(137643) 3	(1152) H									R ← X R	137432 H
R	↳Yoshino and Tanaka, 1968
Q	136759 3	1207 H	18		6						Q ← X R	136571 H
Q	↳Price and Collins, 1935; Namioka, Ogawa, et al., 1962; Yoshino and Tanaka, 1968
Additional unclassified bands in the region 100000 - 135000 cm^-1 Tanaka and Takamine, 1941. Absorption and photoionization cross sections of O₂ (X ³Σ_g^-) 100000 - 170000 cm^-1 Watanabe, 1958, Huffman, Larrabee, et al., 1964, Cook and Metzger, 1964, Matsunaga and Watanabe, 1967. Dissociation continua with maxima at 125000, 131000, 138000 cm^-1 Cook, Ogawa, et al., 1973.
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
p ¹Φ_u	118951	1071 9 H	8.3		1.116 10	0.014		4.5E-6		1.374	p ← a R	110815 H
p ¹Φ_u	↳missing citation; missing citation; missing citation
I"	(118200)	(1050) 11	(15)		12						I" ← X	(117900)
I"	↳Tanaka and Takamine, 1941; Dehmer and Chupka, 1975
I'	117750	1050 13	9.₉		12 14						I' ← X	117490
	↳missing citation; missing citation; missing citation
	116420	1070 13	14.₅		12 14						I ← X	116160
	↳missing citation; missing citation; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
H (³Π_u)	99880	[1070] 15			12						H ← X	99630
H (³Π_u)	↳missing citation; missing citation; missing citation; missing citation
Additional discrete and diffuse absorption bands in the region 80000 - 100000 cm^-1 (only partly assigned) may belong to various Rydberg series converging to the first ionziation potential. Onset of the ionzation continuum observed at 1027.6 Angstrom (97314 cm^-1) by photoionization mass spectrometry Dehmer and Chupka, 1975. Absorption cross sections of O₂ (X ³Σ_g^-) 51000 - 100000 cm^-1 Watanabe, 1958, Kosinskaya and Startsev, 1965, Ogawa and Ogawa, 1975. Absorption cross sections of O₂ (X ¹Δ_g) have been measured Ogawa and Ogawa, 1975 from 63000 to 92000 cm^-1 (see also Ogawa, 1970), photoionization cross sections Clark and Wayne, 1970, from 89400 to 96600 cm^-1.
↳missing citation; Tanaka, 1952; Yamawaki and Ogawa, 1972; Chang and Ogawa, 1973; Ogawa, Yamawaki, et al., 1975
4f complex	[91300] 16										4f ← a	82500
	↳Collins, Husain, et al., 1973
											4f ← X	90500
	↳Chang and Ogawa, 1973
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
L (³Π_u)	[90044] 17				[1.588] 17			[29E-6] 17		[1.152] 17	L ← X V	89257.3 Z
	↳Chang and Ogawa, 1973
	[89948] 17				[1.531] 17			[20E-6] 17		[1.173] 17	L ← X V	89161.0 17 Z
	↳Chang and Ogawa, 1973
	[89858]				[1.486] 17			[30E-6] 17		[1.191] 17	L ← X V	89070.7 Z
	↳Chang and Ogawa, 1973
k (¹Δ_u)	[89066]				[1.451]			[20.8E-6]		[1.205]	k ← a V	80395.8 Z
k (¹Δ_u)	↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
j (¹Σ_u⁺)	(87209) 18	[1896]			[1.701]	19		[12E-6] 19		[1.113]	j ← X V	87370.2 Z
j (¹Σ_u⁺)	↳missing citation; Chang and Ogawa, 1973
G (³Σ_u⁺)	(86998)	[1822]	20		[1.69₈]	0.026 20				[1.114]	G ← X V	87122 21 Z
G (³Σ_u⁺)	↳Chang and Ogawa, 1973; missing citation
A Rydberg series (observed in absorption from a ¹Δ_g) joins on to e, e' and i, i' and converges to X ²Π_g of O₂⁺.
↳Chang and Ogawa, 1972; Collins, Husain, et al., 1973
i (¹Δ_2u)	(86846)	[2062]			[1.688]	0.042		[10.5E-6]		[1.117]	i ← a V	79208.0 22 Z
i (¹Δ_2u)	↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
i' (³Δ_2u)	(86843)	[1699]			[1.791]			[140E-6]		[1.085]	i' ← a V	79022.6 22 Z
i' (³Δ_2u)	↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973
h (¹Π_u)	(86750)	(2200)			[1.451] 23					[1.205] 23	h ← a V	81362.5 23 Z
h (¹Π_u)	↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972
g (¹Π_u)	(86604)	[2048]			[1.615] 24			[6.0E-6] 24		[1.142]	g ← X V	86841.4 Z
g (¹Π_u)	↳Chang and Ogawa, 1973
F'	[87510] 25										F' ← X	86720
F'	↳Tanaka, 1952; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
F ³Π_u	(85868)	[2008] H 26			[1.434]			[11E-6]		[1.212]	F ← X	86085.0 Z
	↳Chang and Ogawa, 1972; Chang and Ogawa, 1973; missing citation
	(85780)	[2000] H 26			[1.398]			[6.0E-6]		[1.228]	F ← X	85992.6 27 Z
	↳Chang and Ogawa, 1972; Chang and Ogawa, 1973; missing citation
	(85689)	[2001] H 26			[1.352]			[5.3E-6]		[1.249]	F ← X	85902.3 Z
	↳Chang and Ogawa, 1972; Chang and Ogawa, 1973; missing citation
E ³Σ_u^-	(79883)	[2547]	28		28						E ← X R	80369 28
E ³Σ_u^-	↳missing citation; Tanaka, 1952; Cartwright, Hunt, et al., 1973; missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
f ¹Σ_u⁺	76091 29	1927	19.0		1.703 30	0.020		31		1.113	f ← b V	63141.5 Z
	↳Alberti, Ashby, et al., 1968
											f ← X V	76262.4 32
	↳Alberti, Ashby, et al., 1968; missing citation; missing citation
D (³Σ_u⁺)	(75260) 33	1957	19.7		1.73 34	0.025		35		1.10₄	D ← X V	(75450)
D (³Σ_u⁺)	↳Alberti, Ashby, et al., 1968; missing citation; missing citation
e (¹Δ_2u)	(75254)	[1830] H			[1.682] 36					[1.119]	e ← a V	67499.6 37 Z
e (¹Δ_2u)	↳Alberti, Ashby, et al., 1968; Ogawa, 1970; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
e' (³Δ_2u)	(74915)	[2052] H	38								e' ← a V	67272 37 H
e' (³Δ_2u)	↳Alberti, Ashby, et al., 1968; Ogawa, 1970; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973
d (¹Π_g)	(69180)	[1860]	39								(d ← X)	69320 40
d (¹Π_g)	↳Trajmar, Cartwright, et al., 1976
C (³Π_g)	(65530)	[1840]	41								(C ← X)	65670 40
C (³Π_g)	↳Cartwright, Hunt, et al., 1973; Huebner, Celotta, et al., 1975
B ³Σ_u^-	49793.28	709.31 42 Z	10.65 42	-0.139	0.8190₂ 42 43 44	0.01206 42	-5.5₆E-4	4.55E-6 45		1.6042₆	B ↔ X 46 47 R	49358.15 Z
B ³Σ_u^-	↳missing citation; missing citation; missing citation; missing citation; missing citation; Ackerman and Biaume, 1970; Creek and Nicholls, 1975
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
A ³Σ_u⁺	35397.8	799.07 Z	12.16 48	-0.550	0.9106	0.0141₆ 48	-9.₇E-4	4.7E-6 49		1.5215	(A → b) 50	(21886)
											(A → a) 50	(27125
											A ↔ X 51 52 R	35007.1₅ Z
	↳missing citation; missing citation; missing citation
A' ³Δ_u	(34690) 53	(850) 54	(20) 54		(0.96) 55	(0.026₂) 55				(1.48)	(A' → a) 50	(26440)
											A' ← X 56 57 R	(34320) 54
	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
c ¹Σ_u^-	33057.₃	794.2₉ Z	12.73₆ 58	-.244₄	0.915₅	0.0139₁ 58	-7.4₀E-4	[7.4E-₆]		1.517₄	c → a 59	(24782)
	↳Richards and Johnson, 1976
											c ↔ X 60 R	32664.₁ Z
	↳missing citation; Degen, 1968
b ¹Σ_g⁺	13195.1	1432.77 61Z	14.00 61		1.40037 61	0.01820 61		5.351E-6 62		1.22688	b → a 63	5238.5
	↳Noxon, 1961
											b ↔ → X 64 65 R	13120.91 66 Z
	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
a ¹Δ_g	7918.1	[1483.5₀] Z	(12.₉)		1.4264	0.0171		[4.86E-6]		1.2156₃	a ↔ X 67 68 65 R	7882.39 Z
a ¹Δ_g	↳missing citation
X ³Σ_g^-	0	1580.19₃ Z	11.98₁ 69	.0474₇	[1.4376766] 70	0.0159₃ 71 72		[4.839E-6] 70 72		1.20752 73
	↳Crawford, Welsh, et al., 1949; Shapiro and Gush, 1966; McKellar, Rich, et al., 1972
	Rotation sp. 74 75
	↳McKnight and Gordy, 1968; Gebbie, Burroughs, et al., 1969
	Spin reorientation (fine structure) sp. 74 76
	↳Miller and Townes, 1953; Zimmerer and Mizushima, 1961; West and Mizushima, 1966; Wilheit and Barrett, 1970; Amano and Hirota, 1974
	Raman sp. 77
	↳missing citation; missing citation; Fletcher and Rayside, 1974; missing citation
	EPR sp.
	↳Tinkham and Strandberg, 1955; Gerber, 1972; Cook, Zegarski, et al., 1973

Notes

Wight and Brion, 1974 obtain 530.8 eV from the electron energy loss spectrum.

Strong X-ray absorption peak (excitation 1s₀ → 1π_g).

Possible upper state symmetries have been discussed on theoretical Leclercq, 1967 and empirical Lindholm, 1968 grounds. Several of these Rydberg levels have also been observed in the high resolution electron energy loss spectrum Geiger and Schroder, 1968.

Strongly preionized.

A weak satellite series approximately 50 cm^-1 longward of the main bands has been observed by Codling and Madden, 1965.

Preionization observed by photoionization mass-spectrometry Dehmer and Chupka, 1975.

The limits refer to band origins; the approximate head-origin separation has been subtracted from the observed heads.

Both preionization (to O₂⁺ + e-) and predissociation (to O⁺ + O^- for n≥5) have been established by photoionization mass- spectrometry Dehmer and Chupka, 1975.

The 0-0, 1-0, 2-0 bands are overlapped. Vibrational numbering confirmed by ¹⁸O₂ isotope shifts.

Rotational analyses for v=3,5,7; v=4,6,8,9 are diffuse.

Probably progression II of Tanaka and Takamine, 1941, extended and reassigned by Katayama, Huffman, Tanaka [unpublished, see Figure 1 of Dehmer and Chupka, 1975].

Preionization observed by photoionization mass-spectrometry Dehmer and Chupka, 1975. Several autoionizing levels have been studied by photoelectron spectroscopy Bahr, Blake, et al., 1971, Kinsinger and Taylor, 1973, Tanaka and Tanaka, 1973. See also Nicholson, 1963.

These progressions have been reassigned and extended by Katayana, Huffman, Tanaka (see 11) and include most of the bands of progressions I, N, I', P of Price and Collins, 1935. They occur in the region of the second member (4sσ_g) of the Rydberg series beginning with H [ Lindholm, 1968, see 15). Other Rydberg series going to a ⁴Π_u or A ²Π_u may also be present; higher members possibly account for many unassigned bands in the region 810-740 Å (123000 - 135000 cm^-1).

That the diffuse nature of the bands is at least partly due to predissociation has been shown by the observation of 0-I lines in fluorescence; Carlson, 1974 gives cross sections for this reaction from 850 to 650 Å (117000 - 154000 cm^-1).

Long but strongly perturbed v' progression composed of bands previously Price and Collins, 1935 assigned to four shorter progressions H, H', M, M'; first member (3sσ_g) of a Rydberg series converging to a ⁴Π_u of O₂⁺ Lindholm, 1968, Edqvist, Lindholm, et al., 1970). The intensity distribution [ Huffman, Larrabee, et al., 1964, Matsunaga and Watanabe, 1967, see also Dehmer and Chupka, 1975] closely resembles that of the a ⁴Π_u progression in the photoelectron spectrum Edqvist, Lindholm, et al., 1970.

Very complex spectrum 90400 - 90700 cm^-1.

Vibrational numbering uncertain.

Ogawa and Yamawaki, 1969 assumed this to be a ³Σ_u⁺ state; reassigned by Chang and Ogawa, 1973.

B₁ = 1.698, D₁ = 42E-6.

Partial rotational analyses of a weak and diffuse 0-0 band and of stronger 1-0 and 2-0 bands Chang and Ogawa, 1973.

The ¹⁸0₂ isotope effect shows that this is a 0-0 band Ogawa, Yamawaki, et al., 1975.

The two components are assumed to correspond to the ground state splitting (A = 200) of O₂⁺ Yamawaki and Ogawa, 1972, Collins, Husain, et al., 1973.

Perturbed rotational structure. According to Yamawaki and Ogawa, 1972 these constants refer to the 1-0 band, the unresolved 0-0 band being at 79180 cm^-1.

Constants for Π⁺; B₀(Π^-) = 1.611, D₀(Π^-) = 14E-6. Constants for the diffuse v=1 level were also determined.

Group of six line-like features similar to F ← X.

v=1 diffuse

The ¹⁸O₂ isotope shift shows that this is a 0-0 band. F ³Π_u is a mixed state resulting from the avoided crossing of the unstable ³Π_u state (arising from ³P + ³P) with the lowest ³Π_u Rydberg state (3pσ_u); see Buenker and Peyerimhoff, 1975, Buenker, Peyerimhoff, et al., 1976. Oscillator strengths Huebner, Celotta, et al., 1975.

The three strongest bands in this region at 80369, 82916, 85345 cm^-1 [called "longest band", "second band", "third band" by Tanaka, 1952] have long resisted attempts at identification. Recent ab initio calculations Yoshimine, Tanaka, et al., 1976, Buenker, Peyerimhoff, et al., 1976 have shown that very probably they correspond to the second ³Σ_u- state formed by the avoided crossing of B ³Σ_u- with the lowest ³Σ_u- Rydberg state (3pπ_u). The predicted ω_e is of the order of 3000 cm^-1. All three bands are diffuse [O(¹D) atoms have been detected in the predissociation of E ³Σ_u- Stone, Lawrence, et al., 1976] and show double peaks (two close double peaks for the "second band"). In 1802 the rotational structure of the "longest band" is resolved [B'= 1.307₂ Ogawa, 1975, D'= 1.₈E-6 Ogawa, 1975, λ'= 3.3₇ Ogawa, 1975, γ'= +0.045 Ogawa, 1975] and confirms that the upper state is indeed ³Σ_u- Ogawa, Yamawaki, et al., 1975. On the basis of the observed isotope shift Ogawa, Yamawaki, et al., 1975 prefer the assignment of the "longest band" as 1-0b. [see also Buenker, Peyerimhoff, et al., 1976]. f values of 0.0102, 0.0080, 0.0015, for three bands have been determined from electron energy loss measurements Huebner, Celotta, et al., 1975.

α state of Alberti, Ashby, et al., 1968, progression II of Tanaka, 1952.

v=2 diffuse. Rotational constants for ¹⁸O₂ in Ogawa, 1975.

D₂= 25.8E-6, D₃= 7E-6, D₄= 10E-6.

The 0-0 band is not observed since it is in the continuum which covers the 1300 Å region.

β state of Alberti, Ashby, et al., 1968 who assumed it to be ¹Σ_u+; reassigned by Ogawa and Yamawaki, 1969. Progression I of Tanaka, 1952.

Levels other than v=2 and 3 are too diffuse for analysis, both in ¹⁶O₂ and ¹⁸O₂; for the latter see Ogawa, 1975.

D₂ = 14.8E-6; D₃ = 21.0E-6.

(diffuse lines)

See 22.

ΔG(3/2) = 1698, ΔG(5/2) = 1838.

ΔG(3/2) = 1770, ΔG(5/2) ~1800.

From electron energy loss spectra. C and d are considered to be the lowest Rydberg states (3sσ_g) of O₂. Apparent oscillator strengths, summed over the first four bands of the C-X progression, yield an f value of f= 0.00074 Huebner, Celotta, et al., 1975.

ΔG(3/2) = 1960 Cartwright, Hunt, et al., 1973, Huebner, Celotta, et al., 1975, ΔG(5/2) = 1780 Cartwright, Hunt, et al., 1973, Huebner, Celotta, et al., 1975 [average of values given by Cartwright, Hunt, et al., 1973 and Huebner, Celotta, et al., 1975].

ω_ey_e = -0.139, γ_e = -0.00055₆ from a low order fit to v ≤ 4; the representation of levels having v ≤ 13 requires seven Y_i0 and seven Y_i1 coefficients Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979; T₀ values of Ackerman and Biaume, 1970 (absorption) and Creek and Nicholls, 1975 (emission) agree to better than 0.1 cm^-1 [note, however, two typographical errors for G₀ and G₃ in Table 5 of Creek and Nicholls, 1975]. Convergence limit of the vibrational levels at 57127.5~ cm^-1 Brix and Herzberg, 1954. RKR potential Krupenie, 1972, Vanderslice, Mason, et al., 1960, Ginter and Battino, 1965.

The spin splitting constants at low v are λ = 1.5, -γ ~ 0.04 cm^-1. They increase rapidly above v~12 Brix and Herzberg, 1954, Bergeman and Wofsy, 1972.

Predissociation above v=2 established by line width measurements in absorption Wilkinson and Mulliken, 1957, Carroll, 1959, Hudson and Carter, 1968, Ackerman and Biaume, 1970, Snopko, 1970, Hudson and Mahle, 1972; maximum at v=4, subsidiary peaks at v=7,11. Ab initio calculations Schaefer and Miller, 1971, Julienne and Krauss, 1975, Julienne, 1976 show that the repulsive ⁵Π_u state from normal atoms is the main contributor to the predissociation with smaller contributions from ¹Π_u, ³Π_u [earlier investigators assumed this to be the only contributor Riess and Ben-Aryeh, 1969, Murrell and Taylor, 1969, Child, 1970, Durmaz and Murrell, 1971] and ³Σ_u⁺. Evidence for inverse predissociation has been foumd by Myers and Bartle, 1968; see also Wray and Fried, 1971, Sharma and Wray, 1971.

β =0.22E-6 for low v; D_v increases rapidly above v~4.

The B state levels have been observed in absorption from v'=0 to the convergence limit (see 42) Brix and Herzberg, 1954, Ackerman and Biaume, 1970. Absorption by vibrationally excited O₂(v" ≤ 5) Ogawa, 1966, Ogawa and Chang, 1968; data for ¹⁷O¹⁶O, ¹⁸O¹⁶O, ¹⁸O₂ Halmann, 1964, Halmann and Laulicht, 1965; absorption in inert gas matrices Bass and Broida, 1964, Schnepp and Dressler, 1965, Boursey, Roncin, et al., 1970 and Fugol, Gimpelevich, et al., 1976. The formation of O(¹D) atoms by photoabsorption in the adjoining continuum has been verified by Stone, Lawrence, et al., 1976. Emission bands with low v' and high v" are observed in various electrical discharges Feast, 1950, Herman, Herman, et al., 1961, Creek and Nicholls, 1975.

For intensity measurements in the discrete portion of the B-X system see Bethke, 1959, Blake, Carver, et al., 1966, Farmer, Fabian, et al., 1968, Hudson and Carter, 1968, Ackerman, Biaume, et al., 1970, Hasson, Hebert, et al., 1970, Huebner, Celotta, et al., 1975, and in the continuum Kosinskaya and Startsev, 1965, Blake, Carver, et al., 1966, Goldstein and Mastrup, 1966, Huebner, Celotta, et al., 1975; at the absorption maximum near 1445 Å (69200 cm^-1) the absorption coefficient is 382 cm^-1 (σ = 1.42E-17 cm²) Goldstein and Mastrup, 1966. Absorption f values vary from 3.4E-10 for the 0-0 band to 3.4E-5 for the 14-0, 15-0 bands to 1.3E-5 for the 20-0 band, yielding an oscillator strength sum of ~32E-5 for the Schumann-Runge bands. The overall electronic absorption oscillator strength is 0.162 which represents an upper limit if, as suggested by Huebner, Celotta, et al., 1975 and recently confirmed by Cartwright, Fiamengo, et al., 1976, the continuum contains contributions from other dissociative states; see also Julienne, Neumann, et al., 1976. A rather different total f value of 0.040 is derived from shock-tube absorption and emission studies Treanor and Wurster, 1960, Krindach, Sobolev, et al., 1963, Buttrey, 1969; the discrepancy is probably due to the r-dependence of the electronic transition moment Marr, 1964, Halmann and Laulicht, 1967, Allison, Dalgarno, et al., 1971, Julienne, Neumann, et al., 1976. Franck-Condon factors based on RKR and similar potentials Jarmain, 1963, Halmann and Laulicht, 1967, Harris, Blackledge, et al., 1969, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979; Halmann and Laulicht, 1967 give data for ¹⁸O₂. The spectral emissivity in the Schumann-Runge bands has been discussed by Ben-Aryeh, 1968, Buttrey, 1969. Franck-Condon densities Jarmain and Nicholls, 1964.

The constants of Herzberg, 1952 have been adjusted Jarmain and Nicholls, 1967, Krupenie, 1972 to the revised vibrational numbering (v' raised by one unit) of Broida and Gaydon, 1954. The spin- splitting constants for low v are λ= -4.9₅ and γ ~0; they decrease appreciably above v~7. RKR potential Vanderslice, Mason, et al., 1960, Degen, Innanen, et al., 1968, Jarmain, 1972, Krupenie, 1972.

D_v increases rapidly above v~4.

The tentative identification of the A → b transition in an oxygen afterglow by Broida and Gaydon, 1954 was not confirmed by Barth and Kaplan, 1957. Other unidentified features in the nightglow and in the oxygen afterglow have been variously attributed to the A → a and A' → a transitions by Wraight, 1976 and Chamberlain, 1958, respectively. A high resolution trace of one of these bands at 4007 Å can be seen in Figure 1 of Degen, 1968.

First observed in absorption at atmospheric pressure and a path of >25 m Herzberg, 1932, Herzberg, 1952. The bands occur in emission in the nightglow Chamberlain, 1955, Chamberlain, 1958 and in various afterglows Broida and Gaydon, 1954, Barth and Kaplan, 1957, Barth and Patapoff, 1962, Degen and Nicholls, 1968. According to Broida and Peyron, 1960, Bass and Broida, 1964 bands correlated with this system have also been observed in matrix isolation studies; these bands have recently been reassigned, see 57.

For detailed intensity measurements in the discrete region and in the adjoining continuum see Ditchburn and Young, 1962, Blake, Carver, et al., 1966, Degen and Nicholls, 1969, Ogawa, 1971, Hasson and Nicholls, 1971. The electronic absorption oscillator strength is cross sections ~E-7; Cross sections in the continuum vary from ~0.5E-24 cm² at 2400 Å to ~30E-24 cm² at 1920 Å where transitions to other dissociative states begin to make significant contributions to the observed intensity Hasson and Nicholls, 1971. Franck-Condon factors and Franck-Condon densities Jarmain and Nicholls, 1967, Degen, Innanen, et al., 1968, Jarmain, 1972, Krupenie, 1972.

The separation of the F₃ and F₂ components in v=6, extrapolated to J=0, is 145.9 cm^-1.

The vibrational constants and v₀₀ have been estimated from measurements of the diffuse high-pressure bands (see 56). The only accurately known vibrational interval is ΔG(11/2) = 611.2 for the F₃ component Herzberg, 1953. The vibrational numbering is uncertain.

Extrapolated from B₅ and B₆ assuming a linear B_v curve; the v numbering has been estimated (see 54).

Only two weak bands have been analyzed at low pressure and 800 m path length Herzberg, 1953. At high pressure and in liquid O₂ a fairly strong progression of diffuse triplets has been studied by many investigators. This progression appears to be the analogue in (O₂)₂ of the A' ← X bands (their intensity increases with the square of the pressure) Wulf, 1928, Finkelnburg and Steiner, 1932, Herman, 1939, Herzberg, 1953. For lack of other information the A' ← X 0-0 band is assumed to be at the position of the first diffuse high-pressure band.

Visible emission bands of oxygen in low temperature matrices Broida and Peyron, 1960 have recently been reinterpreted Richards and Johnson, 1976 as belonging to the A' → X system.

ω_ez_e ~ +0.0005₅. The constants refer to the revised vibrational numbering suggested by Degen, 1968; see 60.

This system was only observed in Xe matrices (v₀₀ = 24552) by excitation with VUV light.

In absorption the 6-0,... ,11-0 bands [new v' numbering of Degen, 1968, 1-0,... ,6-0 in the old numbering of Herzberg, 1953] have been observed with path lengths of 800 m atm Herzberg, 1953; in emission several bands with low v' are seen in the afterglow of an oxygen-argon mixture Degen and Nicholls, 1966, Degen, 1968. The v'=0 progression is the strongest feature of the Venus night airglow Lawrence, Barth, et al., 1977.

These constants have been re-evaluated [ Albritton, Harrop, et al., 1973, see also Creek and Nicholls, 1975] from the measurements of the b-X system Babcock and Herzberg, 1948 using improved lower state constants; γ_e = -0.00004₂. RKR potential curve Albritton, Harrop, et al., 1973. Constants for ¹⁶O¹⁸O, ¹⁶O¹⁷O in Babcock and Herzberg, 1948.

D_v= +0.0318(v+1/2) + 0.00l2(v+1/2)² Albritton, Harrop, et al., 1973. The D_v values have been calculated Albritton, Harrop, et al., 1973 using vibrational wavefunctions computed from the experimental potential curve; see Albritton, Harrop, et al., 1973, 2.

Q branch of the 0-0 band observed in a discharge through O₂ and He. Absolute transition probability ~2.5E-3s^-1.

In absorption observed in the solar spectrum; in the laboratory with more than 1m path. In emission in the aurora and nightglow Meinel, 1950 as well as in various discharges Kaplan, 1947, Kvifte, 1951, Herman, Herman, et al., 1961, Noxon, 1961. Band intensities [in cm^-1 km^-1 atm^-1 (STP)] for the 0-0, 1-0, 2-0 bands are 532, 40.8, 1.52, respectively Miller, Boese, et al., 1969; slightly smaller values in Galkin, Zhukova, et al., 1972. The transition probability for the 0-0 band is 0.075 s^-1 [average of values given by Miller, Boese, et al., 1969 and Galkin, Zhukova, et al., 1972]. Dianov-Klokov, 1964 gives the band oscillator strengths f₀₀ = 2.5E-10 Dianov-Klokov, 1964, f₁₀ ~0.2E-10 Dianov-Klokov, 1964. RKR Franck- Condon factors Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979; rotational intensity distribution and pressure broadening Burch and Gryvnak, 1969, Miller, Boese, et al., 1969, Galkin, Zhukova, et al., 1972.

Pressure induced spectra a ← X, b ← X as well as simultaneous transitions in two colliding molecules have been studied by many investigators. See recent papers by Findlay, 1970, McKellar, Rich, et al., 1972 which refer to earlier work.

Albritton, Harrop, et al., 1973 give v₀₀ = 13122.235 cm^-1 Albritton, Harrop, et al., 1973, differing by +2/3 λ (spin-spin interaction in X ³Σ_g-) from the zero line of Babcock and Herzberg, 1948.

EPR spectra of O₂(¹Δ_g) Falick, Mahan, et al., 1965, Miller, 1971; for ¹⁷O¹⁶O see Arrington, Falick, et al., 1971.

Observed in absorption in the solar spectrum Herzberg and Herzberg, 1947, in emission in a discharge Noxon, 1961 and in the day and twilight glow Jones and Harrison, 1958, Noxon and Jones, 1962, Gattinger, 1968. Values given for the transition probability A₀₀(s^-1) are 2.5₈E-4 Badger, Wright, et al., 1965, 1.9E-4 Jones and Harrison, 1958, 1.5E-4 Jones and Gattinger, 1963. Franck-Condon factors Nicholls, Fraser, et al., 1960, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979; Haslett and Fehsenfeld, 1969.

ω_ez_e = -0.00127₃ Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979, see also Curry and Herzberg, 1934. ΔG(1/2) = 1556.381 Babcock and Herzberg, 1948, Albritton, Harrop, et al., 1973, Fletcher and Rayside, 1974, higher ΔG values are less accurately known. G(v) values for v ≤ 28 are listed in Creek and Nicholls, 1975. RKR potential curve Vanderslice, Mason, et al., 1960, 2, Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979.

From a re-evaluation by Johns and Lepard, 1975 of all available microwave and photographic (electronic and Raman) data; these constants supersede earlier results of Welch and Mizushima, 1972 and are in very good agreement with Steinbach and Gordy, 1975, Tomuta, Mizushima, et al., 1975. Spin splitting constants λ₀ = +1.9847511, γ₀ = -0.00842536; higher order (centrifugal distortion) constants in Johns and Lepard, 1975, Steinbach and Gordy, 1975, Tomuta, Mizushima, et al., 1975, see also Veseth and Lofthus, 1974. For v=1, λ₁ = +1.989586 Amano and Hirota, 1974, γ₁ = -0.0084468 Amano and Hirota, 1974, see also Cook, Zegarski, et al., 1973.

α_v= +0.00006₄₁(v+1/2)² - 2.₈₅E-6(v+1/2)³ Krupenie, 1972, Albritton, Schmeltekopf, et al., 1979. B₁ = 1.42192 Albritton, Harrop, et al., 1973, Amano and Hirota, 1974, Creek and Nicholls, 1975; see also Babcock and Herzberg, 1948.

B_v and D_v values for v ≤ 28 are listed in Creek and Nicholls, 1975.

Rot.-Vibr. sp. (collision induced)

For microwave data on ¹⁸O₂ see Steinbach and Gordy, 1973, on ¹⁶O¹⁸O Amano and Hirota, 1974, Steinbach and Gordy, 1975.

Laser magnetic resonance spectra Mizushima, Wells, et al., 1972, Evenson and Mizushima, 1972, Tomuta, Mizushima, et al., 1975.

The Stark effect of the 118 GHz fine structure transition (N=1,J=1←J=0) has been observed by Gustafson and Gordy, 1974 leading to a reliable value for the polarizability anisotropy α(parallel) - α(perp) = 1.12 Å³ Gustafson and Gordy, 1974.

For Raman data on ¹⁶O¹⁸O and ¹⁸O₂ see Edwards, Good, et al., 1976, Harney and Milanovich, 1976. The 2-1 hot band was recently resolved in the purely isotropic part of the scattered light Altmann, Klockner, et al., 1977. Spin structure Rich and Lepard, 1971.

41260 ± 15 cm^-1, from the convergence limit of the B ← X bands Brix and Herzberg, 1954.

From the high resolution photoelectron spectrum of Samson and Gardner, 1975, see also Al-Joboury, May, et al., 1965, Turner and May, 1966, Turner, 1968. Photoionization studies [ McNeal and Cook, 1966, Samson and Cairns, 1966, additional references in Samson and Gardner, 1975] give appearance potentials of ~12.067 eV.

Calculated from the energy levels of O₂⁺

From the X-ray photoelectron spectrum Siegbahn, Nordling, et al., 1969.

References

Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, Notes

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Notes

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Symbols used in this document:

T Temperature

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T	Temperature
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions