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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 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
1.622 ± 0.061TDEqHeinis, Chowdhury, et al., 1988ΔGea(423 K) = -36.0 kcal/mol; ΔSea = -3.2 eu.; B
1.604 ± 0.048IMREFukuda and McIver, 1985ΔGea(355 K) = -35.9 kcal/mol; ΔSea =-3.2, est. from data in Heinis, Chowdhury, et al., 1988; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.1PEBock, Kaim, et al., 1980LLK
9.16 ± 0.03PIKotov and Potapov, 1972LLK
9.16 ± 0.03PIPotapov and Sorokin, 1971LLK
9.25 ± 0.05PEDougherty and McGlynn, 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H12O+10.1 ± 0.05COPIPotapov and Sorokin, 1971LLK


Go To: Top, 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.

Heinis, Chowdhury, et al., 1988
Heinis, T.; Chowdhury, S.; Scott, S.L.; Kebarle, P., Electron Affinities of Benzo-, Naphtho-, and Anthraquinones Determined from Gas-Phase Equilibria Measurements, J. Am. Chem. Soc., 1988, 110, 2, 400, https://doi.org/10.1021/ja00210a015 . [all data]

Fukuda and McIver, 1985
Fukuda, E.K.; McIver, R.T., Jr., Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones. [Anchored to EA(SO2) from 74CEL/BEN], J. Am. Chem. Soc., 1985, 107, 2291. [all data]

Bock, Kaim, et al., 1980
Bock, H.; Kaim, W.; Timms, P.L.; Hawker, P., Durosemiquinone and its BF analogue - detection of 1,4-diborine as an unexpected elimination product, Chem. Ber., 1980, 113, 3196. [all data]

Kotov and Potapov, 1972
Kotov, B.V.; Potapov, V.K., Ionization potentials of strong organic electron acceptors, Khim. Vys. Energ., 1972, 6, 375. [all data]

Potapov and Sorokin, 1971
Potapov, V.K.; Sorokin, V.V., Photoionization and ion-molecule reactions in quinones and alcohols, High Energy Chem., 1971, 5, 435, In original 487. [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]


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