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Pyridine, pentafluoro-

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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:
HL - Edward P. Hunter and 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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)182.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity175.2kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.68 ± 0.11IMREDillow and Kebarle, 1989«DELTA»Gea(423 K) = -17.2±1.0 kcal/mol , assumed entropy = 3.5 eu; B
0.700 ± 0.050N/AVan Doren, Kerr, et al., 2005B

Ionization energy determinations

IE (eV) Method Reference Comment
9.9PEPiancastelli, Keller, et al., 1983LBLHLM
9.9PEAsbrink, Svensson, et al., 1981LLK
10.07PEUtsunomiya, Kobayashi, et al., 1978LLK
10.08PEBrundle, Robin, et al., 1972LLK
10.27PEPiancastelli, Keller, et al., 1983Vertical value; LBLHLM
10.3PEAsbrink, Svensson, et al., 1981Vertical value; LLK


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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [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]

Van Doren, Kerr, et al., 2005
Van Doren, J.M.; Kerr, D.M.; Miller, T.M.; Viggiano, A.A., Electron attachment and detachment, and the electron affinities of C5F5N and C5HF4N, J. Chem. Phys., 2005, 123, 11, 114303, https://doi.org/10.1063/1.2032967 . [all data]

Piancastelli, Keller, et al., 1983
Piancastelli, M.N.; Keller, P.R.; Taylor, J.W.; Grimm, F.A.; Carlson, T.A., Angular distribution parameter as a function of photon energy for some mono- and diazabenzenes and its use for orbital assignment, J. Am. Chem. Soc., 1983, 105, 4235. [all data]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Utsunomiya, Kobayashi, et al., 1978
Utsunomiya, C.; Kobayashi, T.; Nagakura, S., Photoelectron angular distribution measurements for some pyridines, Bull. Chem. Soc. Jpn., 1978, 451, 3482. [all data]

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A., Perfluoro effect in photoelectron spectroscopy. II. Aromatic molecules, J. Am. Chem. Soc., 1972, 94, 1466. [all data]


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