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Phosphorus dioxide


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.

Quantity Value Units Method Reference Comment
Deltafgas-314.52kJ/molReviewChase, 1998Data last reviewed in September, 1962
Quantity Value Units Method Reference Comment
gas,1 bar253.69J/mol*KReviewChase, 1998Data last reviewed in September, 1962

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

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View table.

Temperature (K) 298. - 600.600. - 6000.
A 11.2654656.69278
B 135.78801.031604
C -159.4602-0.242217
D 70.274460.018741
E 0.175039-2.283770
F -322.0613-338.3555
G 234.2843311.3126
H -314.5243-314.5243
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1962 Data last reviewed in September, 1962

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- bullet 4294967295Phosphorus dioxide) + Phosphorus dioxide = O3P-

By formula: (O3P- bullet 4294967295O2P) + O2P = O3P-

Quantity Value Units Method Reference Comment
Deltar654. ± 26.kJ/molTherWang and Wang, 1999gas phase

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

EA (eV) Method Reference Comment
3.420 ± 0.010LPESN/AB
3.80 ± 0.22R-ARudnyi, Vovk, et al., 1986value altered from reference due to conversion from electron convention to ion convention; B
3.30 ± 0.20EndoWu and Tiernan, 1982B
2.99997IMREWormhoudt and Kobb, 1979B

Ionization energy determinations

IE (eV) Method Reference Comment
11.9 ± 0.5EIBalducci, Gigli, et al., 1981LLK
10.5 ± 0.1EIGingerich and Miller, 1975LLK
11.5 ± 0.5EISmoes and Drowart, 1973LLK
11. ± 1.EIDrowart, Myers, et al., 1972LLK

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- bullet 4294967295Phosphorus dioxide) + Phosphorus dioxide = O3P-

By formula: (O3P- bullet 4294967295O2P) + O2P = O3P-

Quantity Value Units Method Reference Comment
Deltar654. ± 26.kJ/molTherWang and Wang, 1999gas phase

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


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 30393 ± 2 gas 2B1-X 268 600 Verma and McCarthy, 1983
Hamilton, 1987
Ar 2B1-X 292 301 Withnall, McCluskey, et al., 1989


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 933 gas AB LF Verma and McCarthy, 1983
Lei, Teslja, et al., 2001
1 Sym. stretch 942 Ar AB Withnall, McCluskey, et al., 1989
2 Bend 389 gas AB LF Verma and McCarthy, 1983
Lei, Teslja, et al., 2001

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 PO s-stretch 1076 ± 12 gas LMR LF Kawaguchi, Saito, et al., 1985
Hamilton, 1987
Lei, Teslja, et al., 2001
2 Bend 397 ± 12 gas LMR LF Kawaguchi, Saito, et al., 1985
Hamilton, 1987
Lei, Teslja, et al., 2001
2 Bend 386.4 Ar IR Mielke, McCluskey, et al., 1990
b2 3 PO a-stretch 1327.53 gas DL Qian, Davies, et al., 1995
Qian, Davies, et al., 1995, 2
Lawson, Hoffman, et al., 2011
3 PO a-stretch 1319.1 Ar IR Andrews and Withnall, 1988
Withnall and Andrews, 1988
Mielke, McCluskey, et al., 1990
Bauschlicher, Zhou, et al., 2000

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

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.

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 July, 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 210Po2
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 25149.3 108.532 H 0.4417        A rarrow X R 25125.7
missing citation
X 0 155.715 H 0.3353 -3.226E-4        

Notes

1Extrapolation of the lower state vibrational levels.

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, Constants of diatomic molecules, NIST Free Links, 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 «nu»3 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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