Phosphorus dioxide

• Formula: O₂P
• Molecular weight: 62.9726
• IUPAC Standard InChI: InChI=1S/O2P/c1-3-2 Copy

  
• IUPAC Standard InChIKey: CJDZTJNITSFKRE-UHFFFAOYSA-N Copy
• CAS Registry Number: 12164-97-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry 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.

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Reaction thermochemistry 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

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

(O₃P^- • 4294967295) +  = O₃P^-

By formula: (O₃P^- • 4294967295O₂P) + O₂P = O₃P^-

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

View reactions leading to O₂P⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Ion clustering 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

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

(O₃P^- • 4294967295) +  = O₃P^-

By formula: (O₃P^- • 4294967295O₂P) + O₂P = O₃P^-

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction 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 by: Marilyn E. Jacox

State:   2B¹

State:   X

Additional references: Jacox, 1994, page 93; Jacox, 1998, page 194; Jacox, 2003, page 135

Notes

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes

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

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

Wang and Wang, 1999
Wang, X.B.; Wang, L.S., Vibrationally resolved photoelectron spectroscopy of PO3- and the electronic structure of PO3, Chem. Phys. Lett., 1999, 313, 1-2, 179-183, https://doi.org/10.1016/S0009-2614(99)00993-8 . [all data]

Rudnyi, Vovk, et al., 1986
Rudnyi, E.B.; Vovk, O.M.; Sidirov, L.N.; Sorokin, I.D.; Alikhanyan, A.S., Enthalpy of formation of PO₂^-, PO₃^-, and NaPO₂, High Temp., 1986, 24, 56. [all data]

Wu and Tiernan, 1982
Wu, R.L.C.; Tiernan, T.O., Collisional Studies of High Temperature Molecular Negative Ion-Neutral Reactions, Bull. Am. Phys. Soc., 1982, 27, 109. [all data]

Wormhoudt and Kobb, 1979
Wormhoudt, J.C.; Kobb, C.E., MS determination of negative and positive ion concentrations in coal fired MHD plasmas in Proc. 10th Materials Res. Symp. on Characterization of High Temp. Vapors, NBS Spec. Publ. U.S., 1979, 457. [all data]

Balducci, Gigli, et al., 1981
Balducci, G.; Gigli, G.; Guido, M., Dissociation energies of the molecules CrPO₂(g) and CoO(g) by high-temperature mass spectrometry, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 1107. [all data]

Gingerich and Miller, 1975
Gingerich, K.A.; Miller, F., Thermodynamic study of gaseous sodium-phosphorus-oxygen ternary molecules by high temperature mass spectrometry, J. Chem. Phys., 1975, 63, 1211. [all data]

Smoes and Drowart, 1973
Smoes, S.; Drowart, J., Atomization energies of phosphorus oxides, Faraday Symp. Chem. Soc., 1973, 139. [all data]

Drowart, Myers, et al., 1972
Drowart, J.; Myers, C.E.; Szwarc, R.; Vander Auwera-Mahieu, A.; Uy, O.M., Determination by the mass spectrometric Knudsen cell method of the atomization energies of the molecules PO and PO₂, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1749. [all data]

Verma and McCarthy, 1983
Verma, R.D.; McCarthy, C.F., A new spectrum of the PO, Can. J. Phys., 1983, 61, 8, 1149, https://doi.org/10.1139/p83-145 . [all data]

Hamilton, 1987
Hamilton, P.A., The laser induced fluorescence spectrum and radiative lifetime of PO2, J. Chem. Phys., 1987, 86, 1, 33, https://doi.org/10.1063/1.452624 . [all data]

Withnall, McCluskey, et al., 1989
Withnall, R.; McCluskey, M.; Andrews, L., Absorption spectra of the phosphorus oxide (PO2 and PO3) radicals in solid argon, J. Phys. Chem., 1989, 93, 1, 126, https://doi.org/10.1021/j100338a028 . [all data]

Lei, Teslja, et al., 2001
Lei, J.; Teslja, A.; Nizamov, B.; Dagdigian, P.J., Free-Jet Electronic Spectroscopy of the PO, J. Phys. Chem. A, 2001, 105, 33, 7828, https://doi.org/10.1021/jp011778p . [all data]

Kawaguchi, Saito, et al., 1985
Kawaguchi, K.; Saito, S.; Hirota, E.; Ohashi, N., Far-infrared laser magnetic resonance detection and microwave spectroscopy of the PO2 radical, J. Chem. Phys., 1985, 82, 11, 4893, https://doi.org/10.1063/1.448661 . [all data]

Mielke, McCluskey, et al., 1990
Mielke, Z.; McCluskey, M.; Andrews, L., Matrix reactions of P2 and O3 molecules, Chem. Phys. Lett., 1990, 165, 2-3, 146, https://doi.org/10.1016/0009-2614(90)85420-H . [all data]

Qian, Davies, et al., 1995
Qian, H.-B.; Davies, P.B.; Ahmad, I.K.; Hamilton, P.A., Detection of the infrared laser spectrum of the PO2 radical in the gas phase, Chem. Phys. Lett., 1995, 235, 3-4, 255, https://doi.org/10.1016/0009-2614(95)00128-Q . [all data]

Qian, Davies, et al., 1995, 2
Qian, H.-B.; Davies, P.B.; Hamilton, P.A., J. Chem. Soc., 1995, Faraday Trans. 91, 2993. [all data]

Lawson, Hoffman, et al., 2011
Lawson, M.A.; Hoffman, K.J.; Davies, P.B., Infrared diode laser spectroscopy of the ν3 fundamental band of the PO2 free radical, J. Mol. Spectrosc., 2011, 269, 1, 61, https://doi.org/10.1016/j.jms.2011.04.019 . [all data]

Andrews and Withnall, 1988
Andrews, L.; Withnall, R., Matrix reactions of oxygen atoms with P4. Infrared spectra of P4O, P2O, PO and PO2, J. Am. Chem. Soc., 1988, 110, 17, 5605, https://doi.org/10.1021/ja00225a001 . [all data]

Withnall and Andrews, 1988
Withnall, R.; Andrews, L., Infrared spectra of oxygen atom-phosphine reaction products trapped in solid argon, J. Phys. Chem., 1988, 92, 16, 4610, https://doi.org/10.1021/j100327a012 . [all data]

Bauschlicher, Zhou, et al., 2000
Bauschlicher, C.W., Jr.; Zhou, M.; Andrews, L., A Study of the Products of the Reaction of Phosphorus and Dioxygen, J. Phys. Chem. A, 2000, 104, 16, 3566, https://doi.org/10.1021/jp993623b . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  EA	Electron affinity
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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