metaphosphoric acid
- Formula: HO3P
- Molecular weight: 79.9799
- IUPAC Standard InChI: InChI=1S/HO3P/c1-4(2)3/h(H,1,2,3)
- IUPAC Standard InChIKey: UEZVMMHDMIWARA-UHFFFAOYSA-N
- CAS Registry Number: 10343-62-1
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, 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. 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- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 310.8 ± 4.2 | kcal/mol | D-EA | Wang and Wang, 1999 | gas phase |
| ΔrH° | 310.8 ± 2.6 | kcal/mol | G+TS | Viggiano, Henchman, et al., 1992 | gas phase |
| ΔrH° | 310.7 ± 3.6 | kcal/mol | Endo | Viggiano, Morris, et al., 1991 | gas phase |
| 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 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 303.5 ± 4.3 | kcal/mol | H-TS | Wang and Wang, 1999 | gas phase |
| ΔrG° | 303.5 ± 2.5 | kcal/mol | IMRB | Viggiano, Henchman, et al., 1992 | gas phase |
| 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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry 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: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 1 | OH stretch | 3585.4 | Ar | IR | Withnall and Andrews, 1987 | |
| 2 | PO2 a-stretch | 1451.3 | Ar | IR | Withnall and Andrews, 1987 | ||
| 3 | PO2 s-stretch | 1192.6 | Ar | IR | Withnall and Andrews, 1987 | ||
| 4 | POH deform. | 1044.8 | Ar | IR | Withnall and Andrews, 1987 | ||
| 5 | P-O stretch | 913.4 | Ar | IR | Withnall and Andrews, 1987 | ||
| 6 | PO2 scissors | 447.2 | Ar | IR | Withnall and Andrews, 1987 | ||
| 7 | PO2 rock | 412.0 | Ar | IR | Withnall and Andrews, 1987 | ||
| a | 8 | OH torsion | 492.0 | Ar | IR | Withnall and Andrews, 1987 | |
| 9 | OPO2 OPLA | 428.0 | Ar | IR | Withnall and Andrews, 1987 | ||
Additional references: Jacox, 1994, page 273
References
Go To: Top, Reaction thermochemistry 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.
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]
Withnall and Andrews, 1987
Withnall, R.; Andrews, L.,
FTIR spectra of the photolysis products of the phosphine-ozone complex in solid argon,
J. Phys. Chem., 1987, 91, 4, 784, https://doi.org/10.1021/j100288a008
. [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]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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