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HC(=O)OO 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 by: John E. Bartmess

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Individual Reactions

CHO3- + Hydrogen cation = Methaneperoxoic acid

By formula: CHO3- + H+ = CH2O3

Quantity Value Units Method Reference Comment
Deltar1467. ± 14.kJ/molG+TSVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1551. ± 9.2kJ/molG+TSBowie, DePuy, et al., 1986gas 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
Deltar1439. ± 14.kJ/molIMRBVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1523. ± 8.4kJ/molIMRBBowie, DePuy, et al., 1986gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m

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
2.4930 ± 0.0060LPESVillano, Eyet, et al., 2010represents trans isomer

Protonation reactions

CHO3- + Hydrogen cation = Methaneperoxoic acid

By formula: CHO3- + H+ = CH2O3

Quantity Value Units Method Reference Comment
Deltar1467. ± 14.kJ/molG+TSVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1551. ± 9.2kJ/molG+TSBowie, DePuy, et al., 1986gas 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
Deltar1439. ± 14.kJ/molIMRBVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1523. ± 8.4kJ/molIMRBBowie, DePuy, et al., 1986gas 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, Gas phase ion energetics 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

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