Oxygen anion

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess

Quantity Value Units Method Reference Comment
ΔfH°gas-43.22 ± 0.59kJ/molR-EAErvin, Anusiewicz, et al., 2003B
Quantity Value Units Method Reference Comment
S°gas,1 bar209.59J/mol*KReviewChase, 1998Data last reviewed in September, 1977

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Oxygen anion + Oxygen = (Oxygen anion • Oxygen)

By formula: O2- + O2 = (O2- • O2)

Quantity Value Units Method Reference Comment
ΔrH°48. ± 20.kJ/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°102.J/mol*KPHPMSHiraoka, 1988gas phase; M
ΔrS°130.J/mol*KPHPMSConway and Nesbit, 1968gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13. ± 4.6kJ/molTDAsHiraoka, 1888gas phase; see also Sherwood, Hanold, et al., 1996. Aquino, Taylor, et al., 2001 calns indicate rectangular anion; B
ΔrG°23. ± 4.2kJ/molIMREPayzant J.D. and Kebarle, 1972gas phase; B
ΔrG°13. ± 4.2kJ/molIMREPack and Phelps, 1971gas phase; B
ΔrG°16.7 ± 2.1kJ/molIMREParkes, 1971gas phase; B
ΔrG°16. ± 4.2kJ/molTDAsConway and Nesbit, 1968gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.300.DTPack and Phelps, 1971gas phase; M

Oxygen anion + Carbon dioxide = (Oxygen anion • Carbon dioxide)

By formula: O2- + CO2 = (O2- • CO2)

Quantity Value Units Method Reference Comment
ΔrH°79.50 ± 0.84kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
ΔrH°74.1 ± 7.5kJ/molIMREPack and Phelps, 1966gas phase; Corrected with more recent EA(O2) = 0.45 eV; B,M
ΔrH°106. ± 19.kJ/molPDisVestal and Mauclaire, 1977gas phase; B
Quantity Value Units Method Reference Comment
ΔrS°101.J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
ΔrS°88.J/mol*KDTPack and Phelps, 1966gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°49.0 ± 8.4kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B
ΔrG°51.0 ± 5.0kJ/molIMREPack and Phelps, 1966gas phase; Corrected with more recent EA(O2) = 0.45 eV; B
ΔrG°41.8kJ/molFAAdams and Bohme, 1970gas phase; switching reaction(O2-)O2; Conway and Nesbit, 1968; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
54.0296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(O2-)H2O; Arshadi and Kebarle, 1970; M

(Oxygen anion • Water) + Water = (Oxygen anion • 2Water)

By formula: (O2- • H2O) + H2O = (O2- • 2H2O)

Quantity Value Units Method Reference Comment
ΔrH°72.0 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°40.6kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
ΔrG°36. ± 4.2kJ/molIMREPayzant J.D. and Kebarle, 1972gas phase; B
ΔrG°41. ± 4.2kJ/molIMREPack and Phelps, 1971gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
35.300.PHPMSPayzant J.D. and Kebarle, 1972gas phase; M

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

By formula: (O2- • 2H2O) + H2O = (O2- • 3H2O)

Quantity Value Units Method Reference Comment
ΔrH°64.4 ± 4.2kJ/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°118.J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°29.3kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
ΔrG°26. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.296.FAFehsenfeld and Ferguson, 1974gas phase; M
30.300.PHPMSPayzant J.D. and Kebarle, 1972gas phase; M

Oxygen anion + Water = (Oxygen anion • Water)

By formula: O2- + H2O = (O2- • H2O)

Quantity Value Units Method Reference Comment
ΔrH°93.3 ± 6.3kJ/molN/ALuong, Clements, et al., 2001gas phase; Vertical Detachment Energy: 2.03±0.05 eV.; B
ΔrH°77.0 ± 8.4kJ/molTDAsArshadi and Kebarle, 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°84.1J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°52.3 ± 8.4kJ/molTDAsArshadi and Kebarle, 1970gas phase; B
ΔrG°49.0 ± 8.4kJ/molIMREParkes, 1971gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°7. ± 1.kJ/molPHPMSHiraoka, 1988, 2gas phase; M
ΔrH°6.40kJ/molPHPMSHiraoka, 1988, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°74.9J/mol*KPHPMSHiraoka, 1988, 2gas phase; M
ΔrS°75.3J/mol*KN/AHiraoka, 1988, 2gas phase; Entropy change calculated or estimated; M

(Oxygen anion • 2Nitrous oxide) + Nitrous oxide = (Oxygen anion • 3Nitrous oxide)

By formula: (O2- • 2N2O) + N2O = (O2- • 3N2O)

Quantity Value Units Method Reference Comment
ΔrH°26.8 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-3. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(Oxygen anion • 3Nitrous oxide) + Nitrous oxide = (Oxygen anion • 4Nitrous oxide)

By formula: (O2- • 3N2O) + N2O = (O2- • 4N2O)

Quantity Value Units Method Reference Comment
ΔrH°23.8 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-6.3 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(Oxygen anion • 4Nitrous oxide) + Nitrous oxide = (Oxygen anion • 5Nitrous oxide)

By formula: (O2- • 4N2O) + N2O = (O2- • 5N2O)

Quantity Value Units Method Reference Comment
ΔrH°22.2 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-7.9 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(Oxygen anion • 5Nitrous oxide) + Nitrous oxide = (Oxygen anion • 6Nitrous oxide)

By formula: (O2- • 5N2O) + N2O = (O2- • 6N2O)

Quantity Value Units Method Reference Comment
ΔrH°20.9 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°100.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-9.2 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(Oxygen anion • Nitrous oxide) + Nitrous oxide = (Oxygen anion • 2Nitrous oxide)

By formula: (O2- • N2O) + N2O = (O2- • 2N2O)

Quantity Value Units Method Reference Comment
ΔrH°36.4 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°3. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(Oxygen anion • 2Methyl Alcohol) + Methyl Alcohol = (Oxygen anion • 3Methyl Alcohol)

By formula: (O2- • 2CH4O) + CH4O = (O2- • 3CH4O)

Quantity Value Units Method Reference Comment
ΔrH°56.5 ± 2.9kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°117.J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°21.8 ± 1.3kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

By formula: (O2- • 2C2H3N) + C2H3N = (O2- • 3C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°49.8 ± 2.5kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°103.J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°18.8 ± 0.84kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

Oxygen anion + Nitrous oxide = (Oxygen anion • Nitrous oxide)

By formula: O2- + N2O = (O2- • N2O)

Quantity Value Units Method Reference Comment
ΔrH°<56.90kJ/molIMRBAdams and Bohme, 1970gas phase; N2O..O2- + O2 -> O4- + N2O; B
ΔrH°37.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M

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

By formula: (O2- • 3C2H3N) + C2H3N = (O2- • 4C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°39.7 ± 2.1kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°93.7J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°11.7 ± 0.42kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion • Methyl Alcohol) + Methyl Alcohol = (Oxygen anion • 2Methyl Alcohol)

By formula: (O2- • CH4O) + CH4O = (O2- • 2CH4O)

Quantity Value Units Method Reference Comment
ΔrH°64.9 ± 3.3kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°104.J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°33.9 ± 1.7kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion • Acetonitrile) + Acetonitrile = (Oxygen anion • 2Acetonitrile)

By formula: (O2- • C2H3N) + C2H3N = (O2- • 2C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°59.4 ± 2.9kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.0J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°32.2 ± 1.7kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

(Oxygen anion • 2Carbon dioxide) + Carbon dioxide = (Oxygen anion • 3Carbon dioxide)

By formula: (O2- • 2CO2) + CO2 = (O2- • 3CO2)

Quantity Value Units Method Reference Comment
ΔrH°26. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°96.2J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-3. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 3Carbon dioxide) + Carbon dioxide = (Oxygen anion • 4Carbon dioxide)

By formula: (O2- • 3CO2) + CO2 = (O2- • 4CO2)

Quantity Value Units Method Reference Comment
ΔrH°20. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°78.2J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-3. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 4Carbon dioxide) + Carbon dioxide = (Oxygen anion • 5Carbon dioxide)

By formula: (O2- • 4CO2) + CO2 = (O2- • 5CO2)

Quantity Value Units Method Reference Comment
ΔrH°19. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°77.0J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-4.6 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 5Carbon dioxide) + Carbon dioxide = (Oxygen anion • 6Carbon dioxide)

By formula: (O2- • 5CO2) + CO2 = (O2- • 6CO2)

Quantity Value Units Method Reference Comment
ΔrH°18. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°79.5J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-6.3 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • 6Carbon dioxide) + Carbon dioxide = (Oxygen anion • 7Carbon dioxide)

By formula: (O2- • 6CO2) + CO2 = (O2- • 7CO2)

Quantity Value Units Method Reference Comment
ΔrH°17. ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°80.8J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°-7.5 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

(Oxygen anion • Carbon dioxide) + Carbon dioxide = (Oxygen anion • 2Carbon dioxide)

By formula: (O2- • CO2) + CO2 = (O2- • 2CO2)

Quantity Value Units Method Reference Comment
ΔrH°27.6 ± 0.84kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°76.1J/mol*KPHPMSHiraoka and Yamabe, 1992gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°4.6 ± 4.2kJ/molTDAsHiraoka and Yamabe, 1992gas phase; B

Oxygen anion + Methyl Alcohol = (Oxygen anion • Methyl Alcohol)

By formula: O2- + CH4O = (O2- • CH4O)

Quantity Value Units Method Reference Comment
ΔrH°79.91kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°91.6J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°52.30kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

Oxygen anion + Acetonitrile = (Oxygen anion • Acetonitrile)

By formula: O2- + C2H3N = (O2- • C2H3N)

Quantity Value Units Method Reference Comment
ΔrH°68.62kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°72.8J/mol*KPHPMSYamdagni, Payzant, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°46.86kJ/molTDAsYamdagni, Payzant, et al., 1973gas phase; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°5.86kJ/molPHPMSHiraoka, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°67.J/mol*KN/AHiraoka, 1988gas phase; Entropy change calculated or estimated; M

Oxygen anion + Nitrogen = (Oxygen anion • Nitrogen)

By formula: O2- + N2 = (O2- • N2)

Quantity Value Units Method Reference Comment
ΔrH°25. ± 4.2kJ/molN/APosey and Johnson, 1988gas phase; B
ΔrH°<56.90kJ/molIMRBAdams and Bohme, 1970gas phase; N2..O2- + O2 -> O4-; B

Oxygen anion + Carbon monoxide = (Oxygen anion • Carbon monoxide)

By formula: O2- + CO = (O2- • CO)

Quantity Value Units Method Reference Comment
ΔrH°<56.90kJ/molIMRBAdams and Bohme, 1970gas phase; CO..O2- + O2 -> O4- + CO. G3MP2B3 calculations indicate a HOF(A-) ca. -38 kcal/mol; B

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.3 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°76.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°9.0 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°78.2J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°8.1 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°81.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°7.6 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°81.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°7.1 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°78.7J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 2Nitrogen • Oxygen)

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

Quantity Value Units Method Reference Comment
ΔrH°11.7 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°74.9J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • 4294967295Oxygen, atomic) + Oxygen, atomic = Oxygen anion

By formula: (O2- • 4294967295O) + O = O2-

Quantity Value Units Method Reference Comment
ΔrH°400.7kJ/molN/AErvin, Anusiewicz, et al., 2003gas phase; B
ΔrH°401. ± 4.2kJ/molTherTravers, Cowles, et al., 1989gas phase; B

Oxygen anion + Hydrogen cation = Hydroperoxy radical

By formula: O2- + H+ = HO2

Quantity Value Units Method Reference Comment
ΔrH°1476.9 ± 3.0kJ/molD-EATravers, Cowles, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
ΔrG°1450.5 ± 3.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase; B

(Oxygen anion • Oxygen) + Nitrogen = (Oxygen anion • Nitrogen • Oxygen)

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

Quantity Value Units Method Reference Comment
ΔrH°12.0 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°69.0J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

By formula: (O2- • 3H2O) + H2O = (O2- • 4H2O)

Quantity Value Units Method Reference Comment
ΔrG°18. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M
ΔrG°14.kJ/molPHPMSArshadi and Kebarle, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.0 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°89.1J/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°7. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°64.4J/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°6.4 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°64.4J/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°6. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°67.8J/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
ΔrH°10.5 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°87.4J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen anion • Water) + Carbon dioxide = (Oxygen anion • Carbon dioxide • Water)

By formula: (O2- • H2O) + CO2 = (O2- • CO2 • H2O)

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.296.FAFehsenfeld and Ferguson, 1974gas phase; switching reaction(O2-)2H2O; Arshadi and Kebarle, 1970; M

Oxygen anion + Pyridine = C5H5NO2-

By formula: O2- + C5H5N = C5H5NO2-

Quantity Value Units Method Reference Comment
ΔrH°90.8 ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Oxygen anion + Benzene = C6H6O2-

By formula: O2- + C6H6 = C6H6O2-

Quantity Value Units Method Reference Comment
ΔrH°59.0 ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Oxygen anion + Naphthalene = C10H8O2-

By formula: O2- + C10H8 = C10H8O2-

Quantity Value Units Method Reference Comment
ΔrH°92.5 ± 9.6kJ/molN/ALe Barbu, Schiedt, et al., 2002gas phase; Affinity is difference in EAs of lesser solvated species; B

Oxygen anion + Argon = (Oxygen anion • Argon)

By formula: O2- + Ar = (O2- • Ar)

Quantity Value Units Method Reference Comment
ΔrH°6.95kJ/molN/ABowen and Eaton, 1988gas phase; Bound by 70 meV relative to EA(O2-.); B

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

By formula: (O2- • 4H2O) + H2O = (O2- • 5H2O)

Quantity Value Units Method Reference Comment
ΔrG°14. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Protonation reactions

Oxygen anion + Hydrogen cation = Hydroperoxy radical

By formula: O2- + H+ = HO2

Quantity Value Units Method Reference Comment
ΔrH°1476.9 ± 3.0kJ/molD-EATravers, Cowles, et al., 1989gas phase
Quantity Value Units Method Reference Comment
ΔrG°1450.5 ± 3.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase

Constants of diatomic molecules

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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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 16O2-
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
b 118540 1290 1          14.27 eV 2
↳Sanche and Schulz, 1972; Schulz, 1973
a (4Πu) 97800 1044 10 3         11.68 eV 4
↳Sanche and Schulz, 1972; Schulz, 1973
Additional resonances in the electron transmission current at 8-11 eV. 2
↳Sanche and Schulz, 1972; Schulz, 1973
Several bound excited states predicted by theoretical calculations Krauss, Neumann, et al., 1973.
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
A (2Πu) (25300) (574.5) 5 (7.1) 5        A ↔ X 6 (25000) 7
↳Rolfe, 1964; Ikezawa and Rolfe, 1973
Photodetachment cross sections 6700 - 4600 Å (14900 - 21800 cm-1).
↳Cosby, Ling, et al., 1976
X 2Πgi 0 8 1090 9 8.1 9       1.35 10 11  
↳Creighton and Lippincott, 1964; Holzer, Murphy, et al., 1968
EPR sp. 12
↳Kanzig and Cohen, 1959; Zeller and Kanzig, 1967

Notes

1Short progression of resonances in electron transmission. 15
2Energy relative to X 3Σg-(v=0) of neutral O2.
3Long progression of resonances in electron transmission. 16
4Extrapo1ated energy of v=0 relative to X 3Σg-(v=0) of neutral O2.
5Absorption in KBr, vibrational numbering uncertain Ikezawa and Rolfe, 1973.
6Observed in alkali halide crystals at 4.2 and 2 K.
7Estimated v00 for the free O2- ion, by extrapolation from data for various host crystals Holzer, Murphy, et al., 1968.
8A = -160 cm-1 103.
9From electron scattering cross sections for gaseous O2 Boness and Schulz, 1970, Linder and Schmidt, 1971; similar measurements by Gray, Haselton, et al., 1972 suggest ωe = 1140 Gray, Haselton, et al., 1972, ωexe = 12 Gray, Haselton, et al., 1972. A direct measurement of ΔG"(1/2) in the photodetachment spectrum Celotta, Bennett, et al., 1972 gives ΔG"(1/2) ~ 1090 cm-1 Celotta, Bennett, et al., 1972, in agreement with extrapolations from Raman frequencies in alkali halide crystals Holzer, Murphy, et al., 1968. Anharmonicities derived from low-temperature fluorescence spectra (see 6) are approximately 8.7 Ikezawa and Rolfe, 1973.
10From a Franck-Condon factor analysis of the photodetachment spectrum Celotta, Bennett, et al., 1972 and a similar evaluation by Parlant and Fiquet-Fayard, 1976 of the electron scattering data of Linder and Schmidt, 1971.
11Raman sp. 17
12In alkali halide crystals.
13From D00(O2) and the electron affinities of O(1.462 eV) and O2.
14From the O2- photodetachment spectrum Celotta, Bennett, et al., 1972; see also Pack and Phelps, 1966, 2. From endothermic negative-ion charge-transfer reactions Tiernan, Hughes, et al., 1971 obtain I.P. ≥ 0.45 ± 0.1 eV. The theoretical value is 0.42eV Zemke, Das, et al., 1972.
15"Band b". Suggested "grandparent" state b 4Σg- of O2+.
16"Band a". The negative ion state results from the addition of two Rydberg electrons in the 3sσg orbital to the O2+ core in the a 4Πu state ("grandparent").
17In alkali ha1ide crystals and in solid KO2 and NaO2.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ervin, Anusiewicz, et al., 2003
Ervin, K.M.; Anusiewicz, W.; Skurski, P.; Simons, J.; Lineberger, W.C., The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of, J. Phys. Chem. A, 2003, 107, 41, 8521-8529, https://doi.org/10.1021/jp0357323 . [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hiraoka, 1988
Hiraoka, K., A Determination of the Stabilities of O2+(O2)n and O2-(O2)n with n = 1 - 8 from Measurements of the Gas-Phase Ion Equilibria, J. Chem. Phys., 1988, 89, 5, 3190, https://doi.org/10.1063/1.454976 . [all data]

Conway and Nesbit, 1968
Conway, D.C.; Nesbit, L.E., Stability of O4-, J. Chem. Phys., 1968, 48, 1, 509, https://doi.org/10.1063/1.1667956 . [all data]

Hiraoka, 1888
Hiraoka, K., A Determination of the Stability of O2+(O2)n and O2-(O2)n with n=1-8 from Measurements of the Gas Phase Ion Equilibria, J. Chem. Phys., 1888, 89, 5, 3190, https://doi.org/10.1063/1.454976 . [all data]

Sherwood, Hanold, et al., 1996
Sherwood, C.R.; Hanold, K.A.; Garner, M.C.; Strong, K.M.; Continetti, R.E., Translational Spectroscopy Studies of the Photodissociation Dynamics of O4-, J. Chem. Phys., 1996, 105, 24, 10803, https://doi.org/10.1063/1.472888 . [all data]

Aquino, Taylor, et al., 2001
Aquino, A.J.A.; Taylor, P.R.; Walch, S.P., Structure, properties, and photodissociation of O-4(-), J. Chem. Phys., 2001, 114, 7, 3010-3017, https://doi.org/10.1063/1.1288379 . [all data]

Payzant J.D. and Kebarle, 1972
Payzant J.D.; Kebarle, P., Kinetics and Reactions Leading to O2-(H2O)n in Moist Oxygen, J. Chem. Phys., 1972, 56, 7, 3482, https://doi.org/10.1063/1.1677723 . [all data]

Pack and Phelps, 1971
Pack, J.L.; Phelps, A.V., Hydration of Oxygen Negative Ions, Bull. Am. Phys. Soc., 1971, 16, 214. [all data]

Parkes, 1971
Parkes, D.A., Electron Attachment and Negative Ion-Molecule Reactions in Pure O2, Trans. Farad. Soc., 1971, 97, 711, https://doi.org/10.1039/tf9716700711 . [all data]

Hiraoka and Yamabe, 1992
Hiraoka, K.; Yamabe, S., Formation of the Chelate Bonds in the Cluster O2(-)(CO2)n, CO3(-)(CO2)n, and NO2(-)(CO2)n, J. Chem. Phys., 1992, 97, 1, 643, https://doi.org/10.1063/1.463560 . [all data]

Pack and Phelps, 1966
Pack, J.L.; Phelps, A.V., Electron Attachment and Detachment . II. Mixtures of O2 and CO2 and of O2 and H2O, J. Chem. Phys., 1966, 45, 11, 4316, https://doi.org/10.1063/1.1727491 . [all data]

Vestal and Mauclaire, 1977
Vestal, M.L.; Mauclaire, G.H., Photodissociaton of negative ions formed in CO2 and CO2/O2 Mixtures, J. Chem. Phys., 1977, 67, 3758. [all data]

Adams and Bohme, 1970
Adams, N.G.; Bohme, D., Flowing Afterglow Studies of Formation and Reactions of Cluster Ions of O2+, O2-, and O-, J. Chem. Phys., 1970, 52, 6, 3133, https://doi.org/10.1063/1.1673449 . [all data]

Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J., Hydration of Negative Ions in the Gas Phase, J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145 . [all data]

Luong, Clements, et al., 2001
Luong, A.K.; Clements, T.G.; Resat, M.S.; Continetti, R.E., Energetics and dissociative photodetachment dynamics of superoxide-water clusters: O-2(-)(H2O)(n), n=1-6, J. Chem. Phys., 2001, 114, 8, 3449-3455, https://doi.org/10.1063/1.1342221 . [all data]

Hiraoka, 1988, 2
Hiraoka, K., Determination of the Stabilities of O3-(N2)n, O3-(O2)n, and O4-(N2)n from Measurements of the Gas Phase Equilibria, Chem. Phys., 1988, 125, 2-3, 439, https://doi.org/10.1016/0301-0104(88)87096-4 . [all data]

Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Gas-phase clustering reactions of O2(-), NO-, and O- with N2O: Isomeric structures for (NO-N2O)(-), J. Phys. Chem., 1994, 98, 34, 8295, https://doi.org/10.1021/j100085a006 . [all data]

Yamdagni, Payzant, et al., 1973
Yamdagni, R.; Payzant, J.D.; Kebarle, P., Solvation of Cl- and O2- with H2O, CH3OH, and CH3CN in the gas phase, Can. J. Chem., 1973, 51, 2507. [all data]

Posey and Johnson, 1988
Posey, L.A.; Johnson, M.A., Pulsed Photoelectron Spectroscopy of Negative Cluster Ions: Isolation of Three Distinguishable Forms of N2O2-, J. Chem. Phys., 1988, 88, 9, 5385, https://doi.org/10.1063/1.454576 . [all data]

Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B., Reinvestigation of the Electron Affinities of O2 and NO, Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6 . [all data]

Le Barbu, Schiedt, et al., 2002
Le Barbu, K.; Schiedt, J.; Weinkauf, R.; Schlag, E.W.; Nilles, J.M.; Xu, S.J.; Thomas, O.C.; Bowen, K.H., Microsolvation of small anions by aromatic molecules: An exploratory study, J. Chem. Phys., 2002, 116, 22, 9663-9671, https://doi.org/10.1063/1.1475750 . [all data]

Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G., Photodetachment Spectroscopy of Negative Cluster Ions, in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]

Sanche and Schulz, 1972
Sanche, L.; Schulz, G.J., Electron transmission spectroscopy: core-excited resonances in diatomic molecules, Phys. Rev. A: Gen. Phys., 1972, 6, 69. [all data]

Schulz, 1973
Schulz, G.J., Resonances in electron impact on diatomic molecules, Rev. Mod. Phys., 1973, 45, 423. [all data]

Krauss, Neumann, et al., 1973
Krauss, M.; Neumann, D.; Wahl, A.C.; Das, G.; Zemke, W., Excited electronic states of O2, Phys. Rev. A: Gen. Phys., 1973, 7, 69. [all data]

Rolfe, 1964
Rolfe, J., Low-temperature emission spectrum of O2- in alkali halides, J. Chem. Phys., 1964, 40, 1664. [all data]

Ikezawa and Rolfe, 1973
Ikezawa, M.; Rolfe, J., Zero-phonon transitions in O2-, S2-, and Se2-, and SeS- molecules dissolved in alkali halide crystals, J. Chem. Phys., 1973, 58, 2024. [all data]

Cosby, Ling, et al., 1976
Cosby, P.C.; Ling, J.H.; Peterson, J.R.; Moseley, J.T., Photodissociation and photodetachment of molecular negative ions. III. Ions formed in CO2.O2.H2O mixtures, J. Chem. Phys., 1976, 65, 5267. [all data]

Creighton and Lippincott, 1964
Creighton, J.A.; Lippincott, E.R., Vibrational frequency and dissociation energy of the superoxide ion, J. Chem. Phys., 1964, 40, 1779. [all data]

Holzer, Murphy, et al., 1968
Holzer, W.; Murphy, W.F.; Bernstein, H.J.; Rolfe, J., Raman spectrum of O2- ion in alkali halide crystals, J. Mol. Spectrosc., 1968, 26, 543. [all data]

Kanzig and Cohen, 1959
Kanzig, W.; Cohen, M.H., Paramagnetic resonance of oxygen in alkali halides, Phys. Rev. Lett., 1959, 3, 509. [all data]

Zeller and Kanzig, 1967
Zeller, H.R.; Kanzig, W., Die elekrtonische Struktur des O2--Zentrums in den Alkalihalogeniden. I. Die paramagnetischen und optischen Spektren und ihre Interpretation, Helv. Phys. Acta, 1967, 40, 845. [all data]

Boness and Schulz, 1970
Boness, M.J.W.; Schulz, G.J., Structure of O2, Phys. Rev. A: Gen. Phys., 1970, 2, 2182. [all data]

Linder and Schmidt, 1971
Linder, F.; Schmidt, H., Experimental study of low energy e - O2 collision processes, Z. Naturforsch. A, 1971, 26, 1617. [all data]

Gray, Haselton, et al., 1972
Gray, R.L.; Haselton, H.H.; Krause, D., Jr.; Soltysik, E.A., Vibrational structure in electron scattering by O2, Chem. Phys. Lett., 1972, 13, 51. [all data]

Celotta, Bennett, et al., 1972
Celotta, R.J.; Bennett, R.A.; Hall, J.L.; Siegel, M.W.; Levine, J., Molecular photodetachment spectrometry. II. The electron affinity of O2 and the structure of O2-, Phys. Rev. A:, 1972, 6, 631. [all data]

Parlant and Fiquet-Fayard, 1976
Parlant, G.; Fiquet-Fayard, F., The O2- 2Πg resonance: theoretical analysis of electron scattering data, J. Phys. B:, 1976, 9, 1617. [all data]

Pack and Phelps, 1966, 2
Pack, J.L.; Phelps, A.V., Electron Attachment and Detachment. I. Pure O2 at Low Energy, J. Chem. Phys., 1966, 44, 5, 1870, https://doi.org/10.1063/1.1726956 . [all data]

Tiernan, Hughes, et al., 1971
Tiernan, T.O.; Hughes, B.M.; Lifschitz, C., Electron affinities from endothermic negative ion charge transfer reactions. II. O2, J. Chem. Phys., 1971, 55, 5692. [all data]

Zemke, Das, et al., 1972
Zemke, W.T.; Das, G.; Wahl, A.C., Theoretical determination of the electron affinity of O2 molecule from the binding energy of O2-, Chem. Phys. Lett., 1972, 14, 310. [all data]

Notes

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