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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 70
- Gas phase ion energetics data
- Ion clustering data
- Fluid Properties
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°gas,1 bar | 49.033 ± 0.001 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 49.032 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1977 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 100. to 700. | 700. to 2000. | 2000. to 6000. |
---|---|---|---|
A | 7.486219 | 7.177904 | 4.997876 |
B | -4.836356 | 2.096791 | 2.562312 |
C | 13.83041 | -0.953187 | -0.482910 |
D | -8.725201 | 0.188411 | 0.035002 |
E | -0.001762 | -0.177246 | 2.209781 |
F | -2.127981 | -2.706664 | 1.275730 |
G | 58.98530 | 56.44510 | 56.79219 |
H | 0.0 | 0.0 | 0.0 |
Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1977; New parameter fit January 2009 | Data last reviewed in March, 1977; New parameter fit January 2009 | Data last reviewed in March, 1977; New parameter fit January 2009 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 90.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 54.8 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 54.33 | K | N/A | Henning and Otto, 1936 | Uncertainty assigned by TRC = 0.06 K; temperature measured with He gas thermometer; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 154.58 | K | N/A | Pentermann and Wagner, 1978 | Uncertainty assigned by TRC = 0.0015 K; TRC |
Tc | 154.58 | K | N/A | Wagner, Ewers, et al., 1976 | Uncertainty assigned by TRC = 0.0015 K; TRC |
Tc | 155.15 | K | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.3 K; 4 determinations with same result; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 49.77 | atm | N/A | Wagner, Ewers, et al., 1976 | Uncertainty assigned by TRC = 0.005 atm; Vapour-pressure measurements give pc=5.04332 MPa at Tc from L.A.Weber, 1970 PRT, IPTS-68, PP+ differential pressure transducer.; TRC |
Pc | 49.3800 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Pc | 49.2700 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Pc | 49.2000 | atm | N/A | Cardoso, 1915 | Uncertainty assigned by TRC = 0.2999 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 13.60 | mol/l | N/A | Pentermann and Wagner, 1978 | Uncertainty assigned by TRC = 0.014 mol/l; from density measurements 65 to 300 K, Tc from Weber, 1970; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
54.36 to 100.16 | 3.85274 | 325.675 | -5.667 | Brower and Thodos, 1968 | Coefficents calculated by NIST from author's data. |
54.36 to 154.33 | 3.9466 | 340.024 | -4.144 | Brower and Thodos, 1968 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Mass spectrum (electron ionization), 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 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 |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0013 | 1500. | L | N/A | |
0.0013 | 1700. | Q | N/A | Only the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical. |
0.0013 | N/A | N/A | ||
0.0012 | 1700. | X | N/A | |
0.0013 | 1500. | L | N/A | |
0.0012 | 1800. | M | N/A | |
0.0013 | 1700. | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61306 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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 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 (3Πu) 2 | Z ← X | 532 eV 1 | ||||||||||
↳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 ...1πu31πg2 2Πu 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 4Σu+(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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
Y | (184440) 3 | [1510] | 4 | Y ← X | 184410 | |||||||
↳missing citation | ||||||||||||
W (3Σu-) | (168290) 3 | [1510] | 4 | W ← X | 168260 | |||||||
↳missing citation | ||||||||||||
V | Yoshino and Tanaka's weak Rydberg series converging to B 2Σg-(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 2Σg-(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 2Δg of O2+. | ||||||||||||
↳Lindholm, 1968 | ||||||||||||
Namioka, Ogawa and Tanaka's Rydberg s. of weak R shaded b. converging to b 4Σg-(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 4Σg-(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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
U | 142548 3 | 1148 H | 23 | 6 | U ← X R | 142329 H | ||||||
↳Tanaka and Takamine, 1941; Ogawa, 1968 | ||||||||||||
R | (137643) 3 | (1152) H | R ← X R | 137432 H | ||||||||
↳Yoshino and Tanaka, 1968 | ||||||||||||
Q | 136759 3 | 1207 H | 18 | 6 | Q ← X R | 136571 H | ||||||
↳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 3Σg-) 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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
p 1Φu | 118951 | 1071 9 H | 8.3 | 1.116 10 | 0.014 | 4.5E-6 | 1.374 | p ← a R | 110815 H | |||
↳missing citation; missing citation; missing citation | ||||||||||||
I" | (118200) | (1050) 11 | (15) | 12 | I" ← X | (117900) | ||||||
↳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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
H (3Πu) | 99880 | [1070] 15 | 12 | H ← X | 99630 | |||||||
↳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 3Σg-) 51000 - 100000 cm-1 Watanabe, 1958, Kosinskaya and Startsev, 1965, Ogawa and Ogawa, 1975. Absorption cross sections of O2 (X 1Δg) 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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
L (3Πu) | [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 (1Δu) | [89066] | [1.451] | [20.8E-6] | [1.205] | k ← a V | 80395.8 Z | ||||||
↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
j (1Σu+) | (87209) 18 | [1896] | [1.701] | 19 | [12E-6] 19 | [1.113] | j ← X V | 87370.2 Z | ||||
↳missing citation; Chang and Ogawa, 1973 | ||||||||||||
G (3Σu+) | (86998) | [1822] | 20 | [1.698] | 0.026 20 | [1.114] | G ← X V | 87122 21 Z | ||||
↳Chang and Ogawa, 1973; missing citation | ||||||||||||
A Rydberg series (observed in absorption from a 1Δg) joins on to e, e' and i, i' and converges to X 2Πg of O2+. | ||||||||||||
↳Chang and Ogawa, 1972; Collins, Husain, et al., 1973 | ||||||||||||
i (1Δ2u) | (86846) | [2062] | [1.688] | 0.042 | [10.5E-6] | [1.117] | i ← a V | 79208.0 22 Z | ||||
↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
i' (3Δ2u) | (86843) | [1699] | [1.791] | [140E-6] | [1.085] | i' ← a V | 79022.6 22 Z | |||||
↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973 | ||||||||||||
h (1Πu) | (86750) | (2200) | [1.451] 23 | [1.205] 23 | h ← a V | 81362.5 23 Z | ||||||
↳Alberti, Ashby, et al., 1968; Yamawaki and Ogawa, 1972 | ||||||||||||
g (1Πu) | (86604) | [2048] | [1.615] 24 | [6.0E-6] 24 | [1.142] | g ← X V | 86841.4 Z | |||||
↳Chang and Ogawa, 1973 | ||||||||||||
F' | [87510] 25 | F' ← X | 86720 | |||||||||
↳Tanaka, 1952; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
F 3Πu | (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 3Σu- | (79883) | [2547] | 28 | 28 | E ← X R | 80369 28 | ||||||
↳missing citation; Tanaka, 1952; Cartwright, Hunt, et al., 1973; missing citation | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
f 1Σu+ | 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 (3Σu+) | (75260) 33 | 1957 | 19.7 | 1.73 34 | 0.025 | 35 | 1.104 | D ← X V | (75450) | |||
↳Alberti, Ashby, et al., 1968; missing citation; missing citation | ||||||||||||
e (1Δ2u) | (75254) | [1830] H | [1.682] 36 | [1.119] | e ← a V | 67499.6 37 Z | ||||||
↳Alberti, Ashby, et al., 1968; Ogawa, 1970; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
e' (3Δ2u) | (74915) | [2052] H | 38 | e' ← a V | 67272 37 H | |||||||
↳Alberti, Ashby, et al., 1968; Ogawa, 1970; Yamawaki and Ogawa, 1972; Collins, Husain, et al., 1973 | ||||||||||||
d (1Πg) | (69180) | [1860] | 39 | (d ← X) | 69320 40 | |||||||
↳Trajmar, Cartwright, et al., 1976 | ||||||||||||
C (3Πg) | (65530) | [1840] | 41 | (C ← X) | 65670 40 | |||||||
↳Cartwright, Hunt, et al., 1973; Huebner, Celotta, et al., 1975 | ||||||||||||
B 3Σu- | 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 | |
↳missing citation; missing citation; missing citation; missing citation; missing citation; Ackerman and Biaume, 1970; Creek and Nicholls, 1975 | ||||||||||||
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
A 3Σu+ | 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' 3Δu | (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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
c 1Σu- | 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 1Σg+ | 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 | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
a 1Δg | 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 | |||
↳missing citation | ||||||||||||
X 3Σg- | 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
1 | Wight and Brion, 1974 obtain 530.8 eV from the electron energy loss spectrum. |
2 | Strong X-ray absorption peak (excitation 1s0 → 1πg). |
3 | 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. |
4 | Strongly preionized. |
5 | A weak satellite series approximately 50 cm-1 longward of the main bands has been observed by Codling and Madden, 1965. |
6 | Preionization observed by photoionization mass-spectrometry Dehmer and Chupka, 1975. |
7 | The limits refer to band origins; the approximate head-origin separation has been subtracted from the observed heads. |
8 | Both preionization (to O2+ + e-) and predissociation (to O+ + O- for n≥5) have been established by photoionization mass- spectrometry Dehmer and Chupka, 1975. |
9 | The 0-0, 1-0, 2-0 bands are overlapped. Vibrational numbering confirmed by 18O2 isotope shifts. |
10 | Rotational analyses for v=3,5,7; v=4,6,8,9 are diffuse. |
11 | Probably progression II of Tanaka and Takamine, 1941, extended and reassigned by Katayama, Huffman, Tanaka [unpublished, see Figure 1 of Dehmer and Chupka, 1975]. |
12 | 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. |
13 | 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 (4sσg) of the Rydberg series beginning with H [ Lindholm, 1968, see 15). Other Rydberg series going to a 4Πu or A 2Πu may also be present; higher members possibly account for many unassigned bands in the region 810-740 Å (123000 - 135000 cm-1). |
14 | 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). |
15 | 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 (3sσg) of a Rydberg series converging to a 4Πu 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 4Πu progression in the photoelectron spectrum Edqvist, Lindholm, et al., 1970. |
16 | Very complex spectrum 90400 - 90700 cm-1. |
17 | Vibrational numbering uncertain. |
18 | Ogawa and Yamawaki, 1969 assumed this to be a 3Σu+ state; reassigned by Chang and Ogawa, 1973. |
19 | B1 = 1.698, D1 = 42E-6. |
20 | Partial rotational analyses of a weak and diffuse 0-0 band and of stronger 1-0 and 2-0 bands Chang and Ogawa, 1973. |
21 | The 1802 isotope effect shows that this is a 0-0 band Ogawa, Yamawaki, et al., 1975. |
22 | 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. |
23 | 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. |
24 | Constants for Π+; B0(Π-) = 1.611, D0(Π-) = 14E-6. Constants for the diffuse v=1 level were also determined. |
25 | Group of six line-like features similar to F ← X. |
26 | v=1 diffuse |
27 | The 18O2 isotope shift shows that this is a 0-0 band. F 3Πu is a mixed state resulting from the avoided crossing of the unstable 3Πu state (arising from 3P + 3P) with the lowest 3Πu Rydberg state (3pσu); see Buenker and Peyerimhoff, 1975, Buenker, Peyerimhoff, et al., 1976. Oscillator strengths Huebner, Celotta, et al., 1975. |
28 | 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 3Σu- state formed by the avoided crossing of B 3Σu- with the lowest 3Σu- Rydberg state (3pπu). The predicted ωe is of the order of 3000 cm-1. All three bands are diffuse [O(1D) atoms have been detected in the predissociation of E 3Σu- 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 3Σu- 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. |
29 | α state of Alberti, Ashby, et al., 1968, progression II of Tanaka, 1952. |
30 | v=2 diffuse. Rotational constants for 18O2 in Ogawa, 1975. |
31 | D2= 25.8E-6, D3= 7E-6, D4= 10E-6. |
32 | The 0-0 band is not observed since it is in the continuum which covers the 1300 Å region. |
33 | β state of Alberti, Ashby, et al., 1968 who assumed it to be 1Σu+; reassigned by Ogawa and Yamawaki, 1969. Progression I of Tanaka, 1952. |
34 | Levels other than v=2 and 3 are too diffuse for analysis, both in 16O2 and 18O2; for the latter see Ogawa, 1975. |
35 | D2 = 14.8E-6; D3 = 21.0E-6. |
36 | (diffuse lines) |
37 | See 22. |
38 | ΔG(3/2) = 1698, ΔG(5/2) = 1838. |
39 | ΔG(3/2) = 1770, ΔG(5/2) ~1800. |
40 | From electron energy loss spectra. C and d are considered to be the lowest Rydberg states (3sσg) 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. |
41 | 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]. |
42 | ωeye = -0.139, γe = -0.000556 from a low order fit to v ≤ 4; the representation of levels having v ≤ 13 requires seven Yi0 and seven Yi1 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. |
43 | 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. |
44 | 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 5Πu state from normal atoms is the main contributor to the predissociation with smaller contributions from 1Πu, 3Πu [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 3Σu+. Evidence for inverse predissociation has been foumd by Myers and Bartle, 1968; see also Wray and Fried, 1971, Sharma and Wray, 1971. |
45 | β =0.22E-6 for low v; Dv increases rapidly above v~4. |
46 | 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. |
47 | 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. |
48 | 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. |
49 | Dv increases rapidly above v~4. |
50 | 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. |
51 | 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. |
52 | 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. |
53 | The separation of the F3 and F2 components in v=6, extrapolated to J=0, is 145.9 cm-1. |
54 | 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. |
55 | Extrapolated from B5 and B6 assuming a linear Bv curve; the v numbering has been estimated (see 54). |
56 | 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. |
57 | 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. |
58 | ωeze ~ +0.00055. The constants refer to the revised vibrational numbering suggested by Degen, 1968; see 60. |
59 | This system was only observed in Xe matrices (v00 = 24552) by excitation with VUV light. |
60 | 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. |
61 | 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; γe = -0.000042. RKR potential curve Albritton, Harrop, et al., 1973. Constants for 16O18O, 16O17O in Babcock and Herzberg, 1948. |
62 | Dv= +0.0318(v+1/2) + 0.00l2(v+1/2)2 Albritton, Harrop, et al., 1973. The Dv 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. |
63 | Q branch of the 0-0 band observed in a discharge through O2 and He. Absolute transition probability ~2.5E-3s-1. |
64 | 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. |
65 | 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. |
66 | 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 3Σg-) from the zero line of Babcock and Herzberg, 1948. |
67 | EPR spectra of O2(1Δg) Falick, Mahan, et al., 1965, Miller, 1971; for 17O16O see Arrington, Falick, et al., 1971. |
68 | 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. |
69 | ωeze = -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. |
70 | 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. |
71 | αv= +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. |
72 | Bv and Dv values for v ≤ 28 are listed in Creek and Nicholls, 1975. |
73 | Rot.-Vibr. sp. (collision induced) |
74 | For microwave data on 18O2 see Steinbach and Gordy, 1973, on 16O18O Amano and Hirota, 1974, Steinbach and Gordy, 1975. |
75 | Laser magnetic resonance spectra Mizushima, Wells, et al., 1972, Evenson and Mizushima, 1972, Tomuta, Mizushima, et al., 1975. |
76 | 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. |
77 | 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. |
78 | 41260 ± 15 cm-1, from the convergence limit of the B ← X bands Brix and Herzberg, 1954. |
79 | 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. |
80 | Calculated from the energy levels of O2+ |
81 | From the X-ray photoelectron spectrum Siegbahn, Nordling, et al., 1969. |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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.
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The far-ultraviolet absorption spectrum of 18O2, 17O18O, and 16O18O,
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Isotope effects on vibrational transition probabilities. The Schumann-Runge absorption bands of 16O2 and 18O2,
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Franck-Condon factors from Klein-Dunham potentials for the v" = 0 progression of the Schumann-Runge system of O2,
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Jarmain, W.R.; Nicholls, R.W.,
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Barth, C.A.; Kaplan, J.,
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Wraight, P.C.,
Nightglow and a new band system in molecular oxygen,
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The blue airglow spectrum,
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Ein neuartiges, "verbotenes" absorptions-bandensystem des O2-molekuls,
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Chamberlain, J.W.,
The ultraviolet airglow spectrum,
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Degen, V.; Nicholls, R.W.,
The oxygen-argon afterglow as a source of the O2(A3Σu+-X3Σg-) Herzberg I band system,
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Ditchburn and Young, 1962
Ditchburn, R.W.; Young, P.A.,
The absorption of molecular oxygen between 1850 and 2500 Å,
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Wulf, O.R.,
A progression relation in the molecular spectrum of oxygen occurring in the liquid and in the gas at high pressure,
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Excitation of the Venus night airglow,
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Albritton, D.L.; Harrop, W.J.; Schmeltekopf, A.L.; Zare, R.N.,
Resolution of the discrepancies concerning the optical and microwave values for BO and DO of the X3Σg- state of O2,
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Fine structure of the red system of atmospheric oxygen bands,
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Meinel, A.B.,
O2 emission bands in the infrared spectrum of the night sky,
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Kaplan, J.,
Active oxygen,
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Kvifte, G.,
Atmospheric oxygen bands in emission from neon-oxygen mixtures, and in night sky and auroral luminescences,
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Miller, J.H.; Boese, R.W.; Giver, L.P.,
Intensity measurements and rotational intensity distribution for the oxygen A-band,
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Galkin, Zhukova, et al., 1972
Galkin, V.D.; Zhukova, L.N.; Mitrofanova, L.A.,
Line intensities and halfwidths in the A and B bands of the red atmospheric band system of O2,
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Dianov-Klokov, V.I.,
Absorption spectrum of oxygen at pressures from 2 to 35 atm in the region from 12,600 to 3600 Å,
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Burch, D.E.; Gryvnak, D.A.,
Strengths, widths, and shapes of the oxygen lines near 13,100 cm-1 (7620 Å),
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Findlay, F.D.,
Visible emission bands of molecular oxygen,
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Falick, A.M.; Mahan, B.H.; Myers, R.J.,
Paramagnetic resonance spectrum of the 1Δg oxygen molecule,
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Miller, T.A.,
Rotational moment, rotational g factor, electronic orbital g factor, and anisotropy of the magnetic susceptibility of 1Δ O2,
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Arrington, C.A., Jr.; Falick, A.M.; Myers, R.J.,
Electron paramagnetic resonance spectrum of O2(1Δg)--its 17O hyperfine coupling and electronic and rotational g values,
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Fine structure of the infrared atmospheric oxygen bands,
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Jones, A.V.; Harrison, A.W.,
1Δg-3Σg-O2 infrared emission band in the twilight airglow spectrum,
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Noxon, J.F.; Jones, A.V.,
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Gattinger, R.L.,
Observation and interpretation of the O2(1Δg-3Σg-) airglow emissions,
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Badger, R.M.; Wright, A.C.; Whitlock, R.F.,
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Jones, A.V.; Gattinger, R.L.,
The seasonal variation and excitation mechanism of the 1·58 μ 1Δg-3Σg- twilight airglow band,
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Haslett, J.C.; Fehsenfeld, F.C.,
Ratio of the 02(1Δg-3Σg-) (0,0),(0,1) transitions,
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Curry, J.; Herzberg, G.,
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Calculation of rotation-electronic energies and relative transition intensities in diatomic molecules,
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Molecular parameters of the O2 molecule,
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Steinbach, W.; Gordy, W.,
Microwave spectrum and molecular constants of 16O18O,
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Tomuta, L.; Mizushima, M.; Howard, C.J.; Evenson, K.M.,
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Veseth, L.; Lofthus, A.,
Fine structure and centrifugal distortion in the electronic and microwave spectra of O2 and SO,
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Steinbach, W.; Gordy, W.,
Millimeter and submillimeter wave spectrum of 18O2,
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Mizushima, Wells, et al., 1972
Mizushima, M.; Wells, J.S.; Evenson, K.M.; Welch, W.M.,
Laser magnetic resonance of the O2 molecule using the 337-μm HCN laser,
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Evenson, K.M.; Mizushima, M.,
Laser magnetic resonance of the O2 molecule using 119- and 78-μm H2O laser lines,
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Gustafson, S.; Gordy, W.,
The microwave Stark effect in oxygen,
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Edwards, H.G.M.; Good, E.A.M.; Long, D.A.,
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Ionization potential of O2,
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Notes
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- Symbols used in this document:
Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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