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
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Ion clustering data
• 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^-

Vibrational and/or electronic energy levels

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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: 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, 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]

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

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• Symbols used in this document:
  

  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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