Benzoyl chloride

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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

Quantity Value Units Method Reference Comment
IE (evaluated)9.53eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.54PEGan, Livett, et al., 1984LBLHLM
9.52PEMeeks, Wahlborg, et al., 1981LLK
9.69PIMcLoughlin and Traeger, 1979LLK
9.92EIElder, Beynon, et al., 1976LLK
9.85EIBenoit, 1973LLK
9.70 ± 0.01EIFoffani, Pignataro, et al., 1964RDSH
9.79PEGan, Livett, et al., 1984Vertical value; LBLHLM
10.0PEMeeks, Wahlborg, et al., 1981Vertical value; LLK
9.79PEGofman, Yarzhemsky, et al., 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H5+13.81Cl+COEIBenoit, 1973LLK
C6H5O+10.18ClEIElder, Beynon, et al., 1976LLK
C7H5O+9.69ClPIMcLoughlin and Traeger, 1979LLK
C7H5O+10.31ClEIBenoit, 1973LLK
C7H5O+10.5ClEIMajer and Patrick, 1963RDSH


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.

Gan, Livett, et al., 1984
Gan, T.H.; Livett, M.K.; Peel, J.B., Comparative He I and He II photoelectron spectroscopic studies of the benzoyl halides, J. Chem. Soc. Faraday Trans. 2, 1984, 80, 1281. [all data]

Meeks, Wahlborg, et al., 1981
Meeks, J.; Wahlborg, A.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls: Benzoic acid and its derivatives, J. Electron Spectrosc. Relat. Phenom., 1981, 22, 43. [all data]

McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C., A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation, Org. Mass Spectrom., 1979, 14, 434. [all data]

Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G., The benzoyl ion. Thermochemistry and kinetic energy release, Org. Mass Spectrom., 1976, 11, 415. [all data]

Benoit, 1973
Benoit, F., The benzoyl cation: The participation of isolated electronic excited states in the dissociation of molecular ions of the form [C6H5COX]+, Org. Mass Spectrom., 1973, 7, 1407. [all data]

Foffani, Pignataro, et al., 1964
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Ionization potentials and substituent effects for aromatic carbonyl compounds, Z. Physik. Chem. (Frankfurt), 1964, 42, 221. [all data]

Gofman, Yarzhemsky, et al., 1980
Gofman, M.M.; Yarzhemsky, V.G.; Nefedov, V.I., Relative intensities in the He(I) and He(II) photoelectron spectra of benzoyl chloride, J. Electron Spectrosc. Relat. Phenom., 1980, 21, 171. [all data]

Majer and Patrick, 1963
Majer, J.R.; Patrick, C.R., Appearance potentials of the benzoyl radical-ion, J. Chem. Soc. Faraday Trans., 1963, 59, 1274. [all data]


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