PO3 anion
- Formula: O3P-
- Molecular weight: 78.9725
- CAS Registry Number: 15389-19-2
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Reaction thermochemistry data
Go To: Top, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
By formula: O3P- + H2O = (O3P- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.90 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M |
ΔrH° | 12.6 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; M |
ΔrS° | 20.8 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.3 ± 1.2 | kcal/mol | TDAs | Keesee and Castleman Jr., 1989 | gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B |
ΔrG° | 6.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 310.8 ± 4.2 | kcal/mol | D-EA | Wang and Wang, 1999 | gas phase; B |
ΔrH° | 310.8 ± 2.6 | kcal/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrH° | 310.7 ± 3.6 | kcal/mol | Endo | Viggiano, Morris, et al., 1991 | gas phase; B |
ΔrH° | <316.3 ± 3.1 | kcal/mol | G+TS | Henchman, Viggiano, et al., 1985 | gas phase; The neutral thermochemistry appears to be in conflict with computational values; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 303.5 ± 4.3 | kcal/mol | H-TS | Wang and Wang, 1999 | gas phase; B |
ΔrG° | 303.5 ± 2.5 | kcal/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase; B |
ΔrG° | <309.0 ± 3.0 | kcal/mol | IMRB | Henchman, Viggiano, et al., 1985 | gas phase; The neutral thermochemistry appears to be in conflict with computational values; B |
By formula: (O3P- • H2O) + H2O = (O3P- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.4 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrH° | 11.4 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
ΔrS° | 22.0 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.9 | kcal/mol | ES/HPMS | Blades, Ho, et al., 1996, 2 | gas phase; M |
By formula: (O3P- • 2H2O) + H2O = (O3P- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.3 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 36.3 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
By formula: (O3P- • 3H2O) + H2O = (O3P- • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | HPMS | Keesee and Castleman Jr., 1989 | gas phase; deuterated; M |
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; 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
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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