Benzene, pentafluoroiodo-

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Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcliquid-526.0 ± 3.0kcal/molCcbKrech, Price, et al., 1974Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -556.53 kcal/mol

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.41 ± 0.11IMREDillow and Kebarle, 1989ΔGea(423 K) = -35.0±1.0 kcal/mol , assumed entropy = 3.5 eu; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.54PETrudell and Price, 1979LLK
9.5 ± 0.1EIMajer and Patrick, 1962RDSH
9.54PETrudell and Price, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6F5+13.21 ± 0.05IEIPrice and Sapiano, 1974LLK

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.

Krech, Price, et al., 1974
Krech, M.J.; Price, S.J.W.; Yared, W.F., Determination of ΔHf2980(C6F5I,g) from studies of the combustion of iodopentafluorobenzene in oxygen and calculation of D(C6F5-X) bond dissociation energies, Can. J. Chem., 1974, 52, 2673-2678. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [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]

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]

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]

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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