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o-Benzoquinone


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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.900 ± 0.010LPESFu, Yang, et al., 2011Triplet state of neutral 1.68 eV up; B
1.90 ± 0.13IMRBFattahi, Kass, et al., 2005B
1.620 ± 0.048LPDMarks, Comita, et al., 1985B

Ionization energy determinations

IE (eV) Method Reference Comment
9.60PESchang, Gleiter, et al., 1978Vertical value; LLK
9.6PEKoenig, Smith, et al., 1977Vertical value; LLK

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.

Fu, Yang, et al., 2011
Fu, Q.A.; Yang, J.L.; Wang, X.B., On the Electronic Structures and Electron Affinities of the m-Benzoquinone (BQ) Diradical and the o-, p-BQ Molecules: A Synergetic Photoelectron Spectroscopic and Theoretical Study, J. Phys. Chem. A, 2011, 115, 15, 3201-3207, https://doi.org/10.1021/jp1120542 . [all data]

Fattahi, Kass, et al., 2005
Fattahi, Alireza; Kass, Steven R.; Liebman, Joel F.; Matos, M. Agostinha R.; Miranda, Margarida S.; Morais, Victor M.F., The Enthalpies of Formation of o -, m -, and p -Benzoquinone: Gas-Phase Ion Energetics, Combustion Calorimetry, and Quantum Chemical Computations Combined, J. Am. Chem. Soc., 2005, 127, 16, 6116-6122, https://doi.org/10.1021/ja042612f . [all data]

Marks, Comita, et al., 1985
Marks, J.; Comita, P.B.; Brauman, J.I., Threshold resonances in electron photodetachment spectra. Structural evidence for dipole-supported states, J. Am. Chem. Soc., 1985, 107, 3718. [all data]

Schang, Gleiter, et al., 1978
Schang, P.; Gleiter, R.; Rieker, A., The He(I) photoelectron spectrum of cyclobutene-1,2-dione and o-benzoquinone, Ber. Bunsen-Ges. Phys. Chem., 1978, 82, 629. [all data]

Koenig, Smith, et al., 1977
Koenig, T.; Smith, M.; Snell, W., The He(I) photoelectron spectrum of cyclopentadienone, J. Am. Chem. Soc., 1977, 99, 6663. [all data]


Notes

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