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Benzene, hexachloro-

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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 evaluated as indicated in comments:
L - Sharon G. Lias

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

Quantity Value Units Method Reference Comment
IE (evaluated)9.0 ± 0.1eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.92 ± 0.10TDEqKnighton, Bognar, et al., 1995«DELTA»H: 4.7 kcal/mol < pF-nitrobenzene. «DELTA»S=9±2 eu.; B
1.00002ECDWiley, Chen, et al., 1991B

Ionization energy determinations

IE (eV) Method Reference Comment
8.98PESato, Seki, et al., 1981LLK
9.0 ± 0.1PERuscic, Klasinc, et al., 1981LLK
9.19 ± 0.03PERuscic, Klasinc, et al., 1981Vertical value; LLK
9.35PEKimura, Katsumata, et al., 1981Vertical value; LLK
9.31 ± 0.05PEDougherty and McGlynn, 1977Vertical value; LLK
9.20PEStreets and Ceasar, 1973Vertical 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.

Knighton, Bognar, et al., 1995
Knighton, W.B.; Bognar, J.A.; Grimsrud, E.P., Reactions of Selected Molecular Anions with Oxygen, J. Mass Spectrom., 1995, 30, 4, 557, https://doi.org/10.1002/jms.1190300406 . [all data]

Wiley, Chen, et al., 1991
Wiley, J.R.; Chen, E.C.M.; Chen, E.S.D.; Richardson, P.; Reed, W.R.; Wentworth, W.E., The Determination of Absolute Electron Affinities of Chlorobenzenes, Chloronaphthalenes and Chlorinated Biphenyls from Reduction Potentials, J. Electroanal. Chem. Interfac., 1991, 307, 1-2, 169, https://doi.org/10.1016/0022-0728(91)85546-2 . [all data]

Sato, Seki, et al., 1981
Sato, N.; Seki, K.; Inokuchi, H., Polarization energies of organic solids determined by ultraviolet photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 1621. [all data]

Ruscic, Klasinc, et al., 1981
Ruscic, B.; Klasinc, L.; Wolf, A.; Knop, J.V., Photoelectron spectra of and Ab initio calculations on chlorobenzenes. 3. Hexachlorobenzene, J. Phys. Chem., 1981, 85, 1495. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dougherty and McGlynn, 1977
Dougherty, D.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. 1,4-Benzoquinones, J. Am. Chem. Soc., 1977, 99, 3234. [all data]

Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P., Inductive mesomeric effects on the «pi» orbitals of halobenzenes, Mol. Phys., 1973, 26, 1037. [all data]


Notes

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