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Benzene, chloropentafluoro-

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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)9.72 ± 0.14eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.750 ± 0.080N/AMiller and Viggiano, 2005B
0.82 ± 0.11IMREDillow and Kebarle, 1989«DELTA»Gea(423 K) = -20.3 kcal/mol . Assumed EA entropy = 3.5 eu; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.72 ± 0.02PEMohraz, Maier, et al., 1980LLK
10.4 ± 0.1EIMajer and Patrick, 1962RDSH
9.5PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.94PETrudell and Price, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6F5+15.85 ± 0.05ClEIPrice and Sapiano, 1974LLK
C6F5+15.9 ± 0.1ClEIMajer and Patrick, 1962RDSH

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.

Miller and Viggiano, 2005
Miller, T.M.; Viggiano, A.A., Electron attachment and detachment: C6F5Cl, C6F5Br, and C6F5I and the electron affinity of C6F5Cl, Phys. Rev. A, 2005, 71, 1, 012702, https://doi.org/10.1103/PhysRevA.71.012702 . [all data]

Dillow and Kebarle, 1989
Dillow, G.W.; Kebarle, P., Substituent Effects on the Electron Affinities of Perfluorobenzenes C6F5X, J. Am. Chem. Soc., 1989, 111, 15, 5592, https://doi.org/10.1021/ja00197a014 . [all data]

Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E., He(I «alpha») and He(I«alpha») photoelectron spectra of fluorinated chloro- and bromobenzenes, J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]

Majer and Patrick, 1962
Majer, J.R.; Patrick, C.R., Electron impact on some halogenated aromatic compounds, J. Chem. Soc. Faraday Trans., 1962, 58, 17. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Trudell and Price, 1979
Trudell, B.C.; Price, S.J.W., The ultraviolet photoelectron spectra of C6F5X compounds, X=(F, Cl, Br, I, H, CH3), Can. J. Chem., 1979, 57, 2256. [all data]

Price and Sapiano, 1974
Price, S.J.W.; Sapiano, H.J., C6F5X bond dissociation energies: determination from appearance potential measurements and correlation with thermochemical data, Can. J. Chem., 1974, 52, 4109. [all data]


Notes

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