PO3 anion


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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

O3P- + Water = (O3P- • Water)

By formula: O3P- + H2O = (O3P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°54.0 ± 1.3kJ/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M
ΔrH°52.7kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°87.0J/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
ΔrS°92.9J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
ΔrS°87.0J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrG°26. ± 5.0kJ/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B
ΔrG°27.kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

O3P- + Hydrogen cation = metaphosphoric acid

By formula: O3P- + H+ = HPO3

Quantity Value Units Method Reference Comment
ΔrH°1300. ± 18.kJ/molD-EAWang and Wang, 1999gas phase; B
ΔrH°1300. ± 11.kJ/molG+TSViggiano, Henchman, et al., 1992gas phase; B
ΔrH°1300. ± 15.kJ/molEndoViggiano, Morris, et al., 1991gas phase; B
ΔrH°<1323. ± 13.kJ/molG+TSHenchman, Viggiano, et al., 1985gas phase; The neutral thermochemistry appears to be in conflict with computational values; B
Quantity Value Units Method Reference Comment
ΔrG°1270. ± 18.kJ/molH-TSWang and Wang, 1999gas phase; B
ΔrG°1270. ± 10.kJ/molIMRBViggiano, Henchman, et al., 1992gas phase; B
ΔrG°<1293. ± 13.kJ/molIMRBHenchman, Viggiano, et al., 1985gas phase; The neutral thermochemistry appears to be in conflict with computational values; B

(O3P- • Water) + Water = (O3P- • 2Water)

By formula: (O3P- • H2O) + H2O = (O3P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°47.7kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
ΔrH°47.7kJ/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrS°92.0J/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
ΔrS°92.0J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrG°21.kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

(O3P- • 2Water) + Water = (O3P- • 3Water)

By formula: (O3P- • 2H2O) + H2O = (O3P- • 3H2O)

Quantity Value Units Method Reference Comment
ΔrH°68.2kJ/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrS°152.J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M

(O3P- • 3Water) + Water = (O3P- • 4Water)

By formula: (O3P- • 3H2O) + H2O = (O3P- • 4H2O)

Quantity Value Units Method Reference Comment
ΔrH°46.0kJ/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrS°94.1J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M

(O3P- • 4294967295Phosphorus dioxide) + Phosphorus dioxide = O3P-

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

Quantity Value Units Method Reference Comment
ΔrH°654. ± 26.kJ/molTherWang and Wang, 1999gas phase; B

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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
4.950 ± 0.060LPESWang and Wang, 1999 
4.42 ± 0.69R-ARudnyi, Vovk, et al., 1986They use ΔHf(PO3) = -121.9 ± 12.0 kcal/mol; value altered from reference due to conversion from electron convention to ion convention
3.49996IMRBWormhoudt and Kobb, 1979 

Protonation reactions

O3P- + Hydrogen cation = metaphosphoric acid

By formula: O3P- + H+ = HPO3

Quantity Value Units Method Reference Comment
ΔrH°1300. ± 18.kJ/molD-EAWang and Wang, 1999gas phase
ΔrH°1300. ± 11.kJ/molG+TSViggiano, Henchman, et al., 1992gas phase
ΔrH°1300. ± 15.kJ/molEndoViggiano, Morris, et al., 1991gas phase
ΔrH°<1323. ± 13.kJ/molG+TSHenchman, Viggiano, et al., 1985gas phase; The neutral thermochemistry appears to be in conflict with computational values
Quantity Value Units Method Reference Comment
ΔrG°1270. ± 18.kJ/molH-TSWang and Wang, 1999gas phase
ΔrG°1270. ± 10.kJ/molIMRBViggiano, Henchman, et al., 1992gas phase
ΔrG°<1293. ± 13.kJ/molIMRBHenchman, Viggiano, et al., 1985gas phase; The neutral thermochemistry appears to be in conflict with computational values

References

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

Keesee and Castleman Jr., 1989
Keesee, R.G.; Castleman Jr., Hydration of Monomeric Metaphosphate Anion in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 25, 9015, https://doi.org/10.1021/ja00207a004 . [all data]

Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion (HO)2PO2-, and the Conversion of the Orthophosphate anion to the Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Blades, Ho, et al., 1996, 2
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion, (HO)2PO2-, and the Conversion of the Orthophosphate to teh Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [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]

Viggiano, Henchman, et al., 1992
Viggiano, A.A.; Henchman, M.J.; Dale, F.; Deakyne, C.A.; Paulson, J.F., Gas-Phase Reactions of Weak Bronsted Bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with Strong Bronsted Acids H2SO4, FSO3H, and CF3SO3H - A Quantitative Study, J. Am. Chem. Soc., 1992, 114, 11, 4299, https://doi.org/10.1021/ja00037a039 . [all data]

Viggiano, Morris, et al., 1991
Viggiano, A.A.; Morris, R.A.; Dale, F.; Paulson, J.F.; Henshman, M.J.; Miller, T.M.; Miller, S., The Gas Phase Acidities of HPO3 and HPO2: Enthalpies of Deprotonation, J. Phys. Chem., 1991, 95, 3, 1275, https://doi.org/10.1021/j100156a044 . [all data]

Henchman, Viggiano, et al., 1985
Henchman, M.; Viggiano, A.A.; Paulson, J.F.; Freedman, A.; Wormhoudt, J., Thermodynamic and kinetic properties of the metaphosphate anion, PO3-, in the gas phase, J. Am. Chem. Soc., 1985, 107, 1453. [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]

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]


Notes

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