HC(=O)OO anion
- Formula: CHO3-
- Molecular weight: 61.0174
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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 by: John E. Bartmess
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Individual Reactions
CHO3- + =
By formula: CHO3- + H+ = CH2O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1467. ± 14. | kJ/mol | G+TS | Villano, Eyet, et al., 2010 | gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid |
| ΔrH° | <1551. ± 9.2 | kJ/mol | G+TS | Bowie, DePuy, et al., 1986 | gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1439. ± 14. | kJ/mol | IMRB | Villano, Eyet, et al., 2010 | gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid |
| ΔrG° | <1523. ± 8.4 | kJ/mol | IMRB | Bowie, DePuy, et al., 1986 | gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m |
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.
Villano, Eyet, et al., 2010
Villano, S.M.; Eyet, N.; Wren, S.W.; Ellison, G.B.; Bierbaum, V.M.; Lineberger, W.C.,
Photoelectron Spectroscopy and Thermochemistry of the Peroxyformate Anion,
J. Phys. Chem. A, 2010, 114, 1, 191-200, https://doi.org/10.1021/jp907569w
. [all data]
Bowie, DePuy, et al., 1986
Bowie, J.H.; DePuy, C.H.; Sullivan, S.A.; Berbaum, V.M.,
Gas phase reactions of the hydroperoxide and peroxyformate anions,
Can. J. Chem., 1986, 64, 1046. [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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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