Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Benzene, pentafluoro(trifluoromethyl)-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

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:
LL - Sharon G. Lias and Joel F. Liebman
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
0.86 ± 0.11IMREDillow and Kebarle, 1989«DELTA»Gea(423 K) = -21.3±1.0 kcal/mol , assumed entropy = 3.5 eu. The literature exptl HOF(C6F5CF3)=-303.2 (73KRE/KLI) is clearly wrong; B
>1.70 ± 0.30EndoLifshitz, Tiernan, et al., 1973B

Ionization energy determinations

IE (eV) Method Reference Comment
~10.2EIHolman, Kiplinger, et al., 1993LL
10.4 ± 0.1EIMajer and Patrick, 1962RDSH
10.54PEFurin, Zibarev, et al., 1989Vertical value; LL
9.9PEMaier, Marthaler, et al., 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7F7+13.6FEIHolman, Kiplinger, et al., 1993LL


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.

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]

Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M., Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules, J. Chem. Phys., 1973, 59, 3182. [all data]

Holman, Kiplinger, et al., 1993
Holman, R.W.; Kiplinger, J.P.; Tuinman, A.A.; Bloor, J.E.; Bartmess, J.E., Structures of gas-phase C7F7+ ions, J. Am. Soc. Mass Spectrom., 1993, 4, 813. [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]

Furin, Zibarev, et al., 1989
Furin, G.G.; Zibarev, A.V.; Sultanov, A.Sh.; Furlei, I.I., Order and structure of the outer valence Mo's of some derivatives of pentafluorobenzene, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 4, 772. [all data]

Maier, Marthaler, et al., 1980
Maier, J.P.; Marthaler, O.; Mohraz, M., Decay of some substituted benzene cations in the B states in the gaseous phase, J. Chim. Phys., 1980, 77, 661. [all data]


Go To: Top, Gas phase ion energetics data, References