Phosphorus dioxide
- Formula: O2P
- Molecular weight: 62.9726
- IUPAC Standard InChIKey: CJDZTJNITSFKRE-UHFFFAOYSA-N
- 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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Gas phase ion energetics data
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, 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:
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 ± 0.010 | LPES | N/A | B |
3.80 ± 0.22 | R-A | Rudnyi, Vovk, et al., 1986 | value altered from reference due to conversion from electron convention to ion convention; B |
3.30 ± 0.20 | Endo | Wu and Tiernan, 1982 | B |
2.99997 | IMRE | Wormhoudt and Kobb, 1979 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.9 ± 0.5 | EI | Balducci, Gigli, et al., 1981 | LLK |
10.5 ± 0.1 | EI | Gingerich and Miller, 1975 | LLK |
11.5 ± 0.5 | EI | Smoes and Drowart, 1973 | LLK |
11. ± 1. | EI | Drowart, Myers, et al., 1972 | LLK |
Ion clustering data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: 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: (O3P- • 4294967295O2P) + O2P = O3P-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 156.4 ± 6.3 | kcal/mol | Ther | Wang and Wang, 1999 | gas phase |
Vibrational and/or electronic energy levels
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.
Data compiled by: Marilyn E. Jacox
State: 2B1
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (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
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, 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.
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]
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
Go To: Top, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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