Oxygen

• Formula: O₂
• Molecular weight: 31.9988
• IUPAC Standard InChI: InChI=1S/O2/c1-2 Copy

  
• IUPAC Standard InChIKey: MYMOFIZGZYHOMD-UHFFFAOYSA-N Copy
• 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:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 70
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • Constants of diatomic molecules
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
• Options:
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Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, 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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry 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)

Electron affinity determinations

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

Anion protonation reactions

 +  =

By formula: O₂^- + H⁺ = HO₂

Ion clustering data

Go To: Top, Gas phase thermochemistry 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

 +  = ( • )

By formula: Ca⁺ + O₂ = (Ca⁺ • O₂)

Free energy of reaction

HO₂⁺ +  = (HO₂⁺ • )

By formula: HO₂⁺ + O₂ = (HO₂⁺ • O₂)

(HO₂⁺ • ) +  = (HO₂⁺ • 2)

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

(HO₂⁺ • 2) +  = (HO₂⁺ • 3)

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

Free energy of reaction

(HO₂⁺ • 3) +  = (HO₂⁺ • 4)

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

(HO₂⁺ • 4) +  = (HO₂⁺ • 5)

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

(HO₂⁺ • 5) +  = (HO₂⁺ • 6)

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

(HO₂⁺ • 6) +  = (HO₂⁺ • 7)

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

(HO₂⁺ • 7) +  = (HO₂⁺ • 8)

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

(HO₂⁺ • 8) +  = (HO₂⁺ • 9)

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

H₃⁺ +  = (H₃⁺ • )

By formula: H₃⁺ + O₂ = (H₃⁺ • O₂)

(H₃⁺ • ) +  = (H₃⁺ • 2)

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

 +  = ( • )

By formula: Li⁺ + O₂ = (Li⁺ • O₂)

Free energy of reaction

 +  = ( • )

By formula: NO^- + O₂ = (NO^- • O₂)

Free energy of reaction

( • ) +  = ( • 2)

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

( • 2) +  = ( • 3)

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

( • 3) +  = ( • 4)

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

( • 4) +  = ( • 5)

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

 +  = ( • )

By formula: Na⁺ + O₂ = (Na⁺ • O₂)

Free energy of reaction

 +  = ( • )

By formula: O⁺ + O₂ = (O⁺ • O₂)

( • ) +  = ( • 2)

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

( • 2) +  = ( • 3)

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

O^- +  = (O^- • )

By formula: O^- + O₂ = (O^- • O₂)

 +  = ( • )

By formula: O₂⁺ + O₂ = (O₂⁺ • O₂)

Free energy of reaction

( • ) +  = ( • 2)

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

( • 2) +  = ( • 3)

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

( • 3) +  = ( • 4)

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

( • 4) +  = ( • 5)

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

( • 5) +  = ( • 6)

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

( • 6) +  = ( • 7)

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

( • 7) +  = ( • 8)

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

 +  = ( • )

By formula: O₂^- + O₂ = (O₂^- • O₂)

Free energy of reaction

( • ) +  = ( • 2)

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

( • 2) +  = ( • 3)

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

( • 3) +  = ( • 4)

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

( • 4) +  = ( • 5)

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

( • 5) +  = ( • 6)

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

( • 6) +  = ( • 7)

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

O₃^- +  = (O₃^- • )

By formula: O₃^- + O₂ = (O₃^- • O₂)

(O₃^- • ) +  = (O₃^- • 2)

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

(O₃^- • 2) +  = (O₃^- • 3)

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

(O₃^- • 3) +  = (O₃^- • 4)

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

(O₃^- • 4) +  = (O₃^- • 5)

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

O₄^- +  +  = N₂O₄^-

By formula: O₄^- + N₂ + O₂ = N₂O₄^-

References

Go To: Top, Gas phase thermochemistry 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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Linn, S.H.; Ono, Y.; Ng, C.Y., A Study of the Ion - Molecule Half Reactions O2+(a4piu, v)...(O2)m ---> O2m+1 + O, m=1, 2, 3, Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1981, 74, 6, 3348, https://doi.org/10.1063/1.441487 . [all data]

Mosely, Ozenne, et al., 1981
Mosely, J.T.; Ozenne, J.B.; Cosby, P.C., Photofragment Spectroscopy of O3+, J. Chem. Phys., 1981, 74, 1, 337, https://doi.org/10.1063/1.440839 . [all data]

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
Novich, S.E.; Engelking, P.C.; Jones, P.L.; Futrell, J.H.; Lineberger, W.C., Laser photoelectron, photodetachment, and photodestruction spectra of O₃-, J. Chem. Phys., 1979, 70, 2652. [all data]

Cosby, Moseley, et al., 1978
Cosby, P.C.; Moseley, J.T.; Peterson, J.R.; Ling, J.H., Photodissociation spectroscopy of O₃, J. Chem. Phys., 1978, 69, 2771. [all data]

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]

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Yang and Conway, 1964
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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
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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]

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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

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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