Oxygen

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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, References, Notes

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

Quantity Value Units Method Reference Comment
gas,1 bar49.033 ± 0.001cal/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar49.032cal/mol*KReviewChase, 1998Data 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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View table.

Temperature (K) 100. to 700.700. to 2000.2000. to 6000.
A 7.4862197.1779044.997876
B -4.8363562.0967912.562312
C 13.83041-0.953187-0.482910
D -8.7252010.1884110.035002
E -0.001762-0.1772462.209781
F -2.127981-2.7066641.275730
G 58.9853056.4451056.79219
H 0.00.00.0
ReferenceChase, 1998Chase, 1998Chase, 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, Gas phase ion energetics data, Ion clustering data, References, Notes

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil90.2KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus54.8KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple54.33KN/AHenning and Otto, 1936Uncertainty assigned by TRC = 0.06 K; temperature measured with He gas thermometer; TRC
Quantity Value Units Method Reference Comment
Tc154.58KN/APentermann and Wagner, 1978Uncertainty assigned by TRC = 0.0015 K; TRC
Tc154.58KN/AWagner, Ewers, et al., 1976Uncertainty assigned by TRC = 0.0015 K; TRC
Tc155.15KN/ACardoso, 1915Uncertainty assigned by TRC = 0.3 K; 4 determinations with same result; TRC
Quantity Value Units Method Reference Comment
Pc49.77atmN/AWagner, Ewers, et al., 1976Uncertainty 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
Pc49.3800atmN/ACardoso, 1915Uncertainty assigned by TRC = 0.2999 atm; TRC
Pc49.2700atmN/ACardoso, 1915Uncertainty assigned by TRC = 0.2999 atm; TRC
Pc49.2000atmN/ACardoso, 1915Uncertainty assigned by TRC = 0.2999 atm; TRC
Quantity Value Units Method Reference Comment
ρc13.60mol/lN/APentermann and Wagner, 1978Uncertainty 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 100.163.85274325.675-5.667Brower and Thodos, 1968Coefficents calculated by NIST from author's data.
54.36 to 154.333.9466340.024-4.144Brower and Thodos, 1968Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.0697 ± 0.0002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)101.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity94.72kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.4480 ± 0.0060LPESErvin, Anusiewicz, et al., 2003B
0.4510 ± 0.0070LPESTravers, Cowles, et al., 1989B
0.4400 ± 0.0080LPESCelotta, Bennett, et al., 197289SAW puts DH(H-O2.) at 59 kcal/mol, implying ΔHacid=362.5; B
0.451 ± 0.052ECDChen and Wentworth, 1983B
0.44 ± 0.10CIDTTiernan and Wu, 1978From O2-; B
0.40 ± 0.10NBIEDurup, Parlant, et al., 1977B
0.450 ± 0.024ETSBurrow, 1974B
0.50 ± 0.10NBIEBaeda, 1972B
0.430 ± 0.030LPESCelotta, Bennett, et al., 1971B
0.460 ± 0.050NBIENalley and Compton, 1971B
>0.45 ± 0.10EndoTiernan, Hughes, et al., 1971B
0.50 ± 0.20NBIELacmann and Herschbach, 1970B
0.430 ± 0.020KinePack and Phelps, 1966B
>0.479998EndoBerkowitz, Chupka, et al., 1971B
>0.56 ± 0.10EndoChantry, 1971B
0.725005ECDChen and Chen, 2003B
>1.27 ± 0.20EndoBailey and Mahadevan, 1970B
1.119 ± 0.069IMRBVogt, Hauffle, et al., 1970B
>1.10 ± 0.10EIAEStockdale, Compton, et al., 1969From NO2; B
0.150 ± 0.050PDBurch, Smith, et al., 1958B

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
100.6 ± 0.8Litorja and Ruscic, 1998T = 298K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.0697 ± 0.0002STonkyn, Winniczek, et al., 1989LL
12.1 ± 0.1EIGrade, Wienecke, et al., 1983LBLHLM
12.8 ± 0.5EIGomez, Chatillon, et al., 1982LBLHLM
12.0 ± 1.0SFarber, Srivastava, et al., 1982LBLHLM
12.076 ± 0.002PEMacNeil and Dixon, 1977LLK
12.071PEKronebusch and Berkowitz, 1976LLK
12.071 ± 0.001PESamson and Gardner, 1975LLK
12.0 ± 0.5EIHildenbrand, 1975LLK
12.2 ± 0.2EIBennett, Lin, et al., 1974LLK
12.07 ± 0.01PITanaka and Tanaka, 1973LLK
12.08PENatalis, 1973LLK
12.077PEDromey, Morrison, et al., 1973LLK
12.127PEVilesov and Lopatin, 1972LLK
12.072 ± 0.008PIDibeler and Walker, 1967RDSH
12.059 ± 0.001SSamson and Cairns, 1966RDSH
12.078 ± 0.005PIBrehm, 1966RDSH
12.065 ± 0.003PINicholson, 1963RDSH
12.08 ± 0.01PIWatanabe, 1957RDSH
12.30PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.33 ± 0.01PEBanna and Shirley, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
O+18.734OPIPECOBlyth, Powis, et al., 1981LLK
O+17.28O-PIOertel, Schenk, et al., 1980LLK
O+18.69 ± 0.04OEILocht and Schopman, 1974LLK
O+17.3 ± 0.2O-EILocht and Momigny, 1971LLK
O+17.25 ± 0.01O-PIDibeler and Walker, 1967RDSH
O+17.272 ± 0.024O-PIElder, Villarejo, et al., 1965RDSH
O+18.8 ± 0.4OPIWeissler, Samson, et al., 1959RDSH
O+18.99 ± 0.05OEIFrost and McDowell, 1959RDSH

Anion protonation reactions

Oxygen anion + Hydrogen cation = Hydroperoxy radical

By formula: O2- + H+ = HO2

Quantity Value Units Method Reference Comment
Δr352.99 ± 0.72kcal/molD-EATravers, Cowles, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr346.67 ± 0.82kcal/molH-TSTravers, Cowles, et al., 1989gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References, Notes

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

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Calcium ion (1+) + Oxygen = (Calcium ion (1+) • Oxygen)

By formula: Ca+ + O2 = (Ca+ • O2)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.0296.FASpears and Fehsenfeld, 1972gas phase; M

HO2+ + Oxygen = (HO2+ • Oxygen)

By formula: HO2+ + O2 = (HO2+ • O2)

Quantity Value Units Method Reference Comment
Δr20.0kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr27.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr6.9 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr6.6kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr23.1cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr22.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.7 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr3.2kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr18.3cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr20.cal/mol*KN/AHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
1.1105.PHPMSHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr2.5 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.2 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.0 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.0 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.8 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr21.1cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.7 ± 0.3kcal/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr20.6cal/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

H3+ + Oxygen = (H3+ • Oxygen)

By formula: H3+ + O2 = (H3+ • O2)

Quantity Value Units Method Reference Comment
Δr12.5kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M

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

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

Quantity Value Units Method Reference Comment
Δr11.5kcal/molPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M

Lithium ion (1+) + Oxygen = (Lithium ion (1+) • Oxygen)

By formula: Li+ + O2 = (Li+ • O2)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2319.DTColonna-Romano and Keller, 1976gas phase; low E/N; M

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

By formula: NO- + O2 = (NO- • O2)

Quantity Value Units Method Reference Comment
Δr2.9 ± 0.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr14.5cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
-0.4200.FADunkin, Fehsenfeld, et al., 1971gas phase; DG>; M

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

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

Quantity Value Units Method Reference Comment
Δr2.9 ± 0.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr15.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.8 ± 0.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr15.7cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.4 ± 0.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr16.1cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.4 ± 0.2kcal/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr19.2cal/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

Sodium ion (1+) + Oxygen = (Sodium ion (1+) • Oxygen)

By formula: Na+ + O2 = (Na+ • O2)

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
0.2310.DTKeller and Beyer, 1971gas phase; low E/N; M

Oxygen cation + Oxygen = (Oxygen cation • Oxygen)

By formula: O+ + O2 = (O+ • O2)

Quantity Value Units Method Reference Comment
Δr42.9kcal/molPDissHiller and Vestal, 1982gas phase; M
Δr48.kcal/molPILinn, Ono, et al., 1981gas phase; M
Δr49.9kcal/molPDissMosely, Ozenne, et al., 1981gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr6.9kcal/molPILinn, Ono, et al., 1981gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr0.9kcal/molPILinn, Ono, et al., 1981gas phase; M

O- + Oxygen = (O- • Oxygen)

By formula: O- + O2 = (O- • O2)

Quantity Value Units Method Reference Comment
Δr32.kcal/molPDissHiller and Vestal, 1981gas phase; From thermochemical cycle, ΔrH<; M
Δr39.0kcal/molPESNovich, Engelking, et al., 1979gas phase; From thermochemical cycle, from EA(O3), D(O-O2) AND EA(O); M
Δr38.kcal/molPDissCosby, Moseley, et al., 1978gas phase; M
Δr42.kcal/molCIDLifschitz, Wu, et al., 1978gas phase; M

Oxygen cation + Oxygen = (Oxygen cation • Oxygen)

By formula: O2+ + O2 = (O2+ • O2)

Quantity Value Units Method Reference Comment
Δr10. ± 1.kcal/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr18.8cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr25.02cal/mol*KPHPMSConway and Janik, 1970gas phase; M
Δr20.cal/mol*KPHPMSDurden, Kebarle, et al., 1969gas phase; M
Δr20.6cal/mol*KPHPMSYang and Conway, 1964gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.8300.DTRakshit and Warneck, 1981gas phase; M
3.3300.DTRakshit and Warneck, 1980gas phase; M
3.4296.FAHoward, Bierbaum, et al., 1972gas phase; M
5.9200.FAAdams and Bohme, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr5.9 ± 0.3kcal/molPHPMSHiraoka, 1988gas phase; M
Δr6.87 ± 0.06kcal/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr26.3cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr31.78cal/mol*KPHPMSConway and Janik, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.5 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Δr2.5 ± 0.1kcal/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr18.7cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr19.8cal/mol*KPHPMSConway and Janik, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.1 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Δr2.46 ± 0.18kcal/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr23.9cal/mol*KPHPMSConway and Janik, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.9 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Δr1.8 ± 0.7kcal/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr17.0cal/mol*KPHPMSConway and Janik, 1970gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.9 ± 0.3kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.9 ± 0.4kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.9cal/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.82kcal/molPHPMSHiraoka, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AHiraoka, 1988gas phase; Entropy change calculated or estimated; M

Oxygen anion + Oxygen = (Oxygen anion • Oxygen)

By formula: O2- + O2 = (O2- • O2)

Quantity Value Units Method Reference Comment
Δr12. ± 4.kcal/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSHiraoka, 1988gas phase; M
Δr32.cal/mol*KPHPMSConway and Nesbit, 1968gas phase; M
Quantity Value Units Method Reference Comment
Δr3.2 ± 1.1kcal/molTDAsHiraoka, 1888gas phase; see also Sherwood, Hanold, et al., 1996. Aquino, Taylor, et al., 2001 calns indicate rectangular anion; B
Δr5.4 ± 1.0kcal/molIMREPayzant J.D. and Kebarle, 1972gas phase; B
Δr3.2 ± 1.0kcal/molIMREPack and Phelps, 1971gas phase; B
Δr4.00 ± 0.50kcal/molIMREParkes, 1971gas phase; B
Δr3.8 ± 1.0kcal/molTDAsConway and Nesbit, 1968gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.5300.DTPack and Phelps, 1971gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.5 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.9cal/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr2.4 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr21.3cal/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
Δr1.8 ± 0.3kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.4cal/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
Δr1.5 ± 0.2kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.4cal/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
Δr1.5 ± 0.3kcal/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr16.2cal/mol*KPHPMSHiraoka, 1988gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.40kcal/molPHPMSHiraoka, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr16.cal/mol*KN/AHiraoka, 1988gas phase; Entropy change calculated or estimated; M

O3- + Oxygen = (O3- • Oxygen)

By formula: O3- + O2 = (O3- • O2)

Quantity Value Units Method Reference Comment
Δr2.10 ± 0.20kcal/molTDAsHiraoka, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr19.0cal/mol*KPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr-3.60 ± 0.50kcal/molTDAsHiraoka, 1988, 2gas phase; B

(O3- • Oxygen) + Oxygen = (O3- • 2Oxygen)

By formula: (O3- • O2) + O2 = (O3- • 2O2)

Quantity Value Units Method Reference Comment
Δr2.0 ± 0.2kcal/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(O3- • 2Oxygen) + Oxygen = (O3- • 3Oxygen)

By formula: (O3- • 2O2) + O2 = (O3- • 3O2)

Quantity Value Units Method Reference Comment
Δr2.0 ± 0.3kcal/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.0cal/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(O3- • 3Oxygen) + Oxygen = (O3- • 4Oxygen)

By formula: (O3- • 3O2) + O2 = (O3- • 4O2)

Quantity Value Units Method Reference Comment
Δr1.6 ± 0.3kcal/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr15.4cal/mol*KPHPMSHiraoka, 1988, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr1.54kcal/molPHPMSHiraoka, 1988, 2gas phase; ΔrH, ΔrS approximate; M
Quantity Value Units Method Reference Comment
Δr16.4cal/mol*KPHPMSHiraoka, 1988, 2gas phase; ΔrH, ΔrS approximate; M

O4- + Nitrogen + Oxygen = N2O4-

By formula: O4- + N2 + O2 = N2O4-

Quantity Value Units Method Reference Comment
Δr2.90 ± 0.20kcal/molTDAsHiraoka, 1988, 2gas phase; B
Quantity Value Units Method Reference Comment
Δr-2.10 ± 0.50kcal/molTDAsHiraoka, 1988, 2gas phase; B

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Notes

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

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Dunkin, Fehsenfeld, et al., 1971
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Keller and Beyer, 1971
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Mosely, Ozenne, et al., 1981
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Hiller and Vestal, 1981
Hiller, J.F.; Vestal, M.L., Laser Photodissociation of O3- by Triple Quadrupole Mass Spectrometry, J. Chem. Phys., 1981, 74, 11, 6096, https://doi.org/10.1063/1.441053 . [all data]

Novich, Engelking, et al., 1979
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Cosby, Moseley, et al., 1978
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Lifschitz, Wu, et al., 1978
Lifschitz, C.; Wu, R.L.C.; Tiernan, T.O.; Terwillinger, D.T., Negative Ion - Molecule Reactions of Ozone and Their Implications on the Thermochemistry of O3-, J. Chem. Phys., 1978, 68, 1, 247, https://doi.org/10.1063/1.435489 . [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 Janik, 1970
Conway, D.C.; Janik, G.S., Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+, J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262 . [all data]

Durden, Kebarle, et al., 1969
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Yang and Conway, 1964
Yang, J.H.; Conway, D.C., Bonding in Ion Clusters. I. O4+, J. Chem. Phys., 1964, 40, 6, 1729, https://doi.org/10.1063/1.1725389 . [all data]

Rakshit and Warneck, 1981
Rakshit, A.B.; Warneck, P., Formation and Reactions of O2+.CO2, O2+.H2O and O2+(CO2)2 Ions, Int. J. Mass Spectrom Ion Phys., 1981, 40, 2, 135, https://doi.org/10.1016/0020-7381(81)80037-X . [all data]

Rakshit and Warneck, 1980
Rakshit, A.B.; Warneck, P., A Drift Chamber Study of the Formation of Water Cluster Ions in Oxygen, J. Chem. Phys., 1980, 73, 10, 5074, https://doi.org/10.1063/1.439985 . [all data]

Howard, Bierbaum, et al., 1972
Howard, C.J.; Bierbaum, V.M.; Rundle, H.W.; Kaufman, F., Kinetics and Mechanism of Formation of Water Cluster Ions from O2+ and H2O+, J. Chem. Phys., 1972, 57, 8, 3491, https://doi.org/10.1063/1.1678783 . [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]

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, 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]


Notes

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