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
Δr12.90 ± 0.30kcal/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
Δr12.6kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.2cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Δr20.8cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.2kcal/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
Δr6.4kcal/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
Δr310.8 ± 4.2kcal/molD-EAWang and Wang, 1999gas phase; B
Δr310.8 ± 2.6kcal/molG+TSViggiano, Henchman, et al., 1992gas phase; B
Δr310.7 ± 3.6kcal/molEndoViggiano, Morris, et al., 1991gas phase; B
Δr<316.3 ± 3.1kcal/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
Δr303.5 ± 4.3kcal/molH-TSWang and Wang, 1999gas phase; B
Δr303.5 ± 2.5kcal/molIMRBViggiano, Henchman, et al., 1992gas phase; B
Δr<309.0 ± 3.0kcal/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
Δr11.4kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr11.4kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr22.0cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.0cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr4.9kcal/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
Δr16.3kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr36.3cal/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
Δr11.0kcal/molHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr22.5cal/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
Δr156.4 ± 6.3kcal/molTherWang and Wang, 1999gas phase; B

References

Go To: Top, Reaction thermochemistry data, Notes

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]


Notes

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