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pOH-phenoxide anion


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
1.990 ± 0.010LPESWang, Fu, et al., 2010 

Protonation reactions

C6H5O2- + Hydrogen cation = Hydroquinone

By formula: C6H5O2- + H+ = C6H6O2

Quantity Value Units Method Reference Comment
Deltar1466. ± 8.8kJ/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1436. ± 8.4kJ/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Wang, Fu, et al., 2010
Wang, X.B.; Fu, Q.A.; Yang, J.L., Electron Affinities and Electronic Structures of o-, m-, and p-Hydroxyphenoxyl Radicals: A Combined Low-Temperature Photoelectron Spectroscopic and Ab Initio Calculation Study, J. Phys. Chem. A, 2010, 114, 34, 9083-9089, https://doi.org/10.1021/jp103752t . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]


Notes

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