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Ethene, fluoro-

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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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H3F+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.36 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)174.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity167.3kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.36 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.3PEDannacher, Schmelzer, et al., 1979LLK
10.36PESell, Mintz, et al., 1978LLK
10.363 ± 0.015PIWilliamson and Beauchamp, 1976LLK
10.37PEReinke, Baumgartel, et al., 1974LLK
10.35 ± 0.01PIReinke, Kraessig, et al., 1973LLK
10.37PELake and Thompson, 1970RDSH
10.37 ± 0.02PIMomigny, 1963RDSH
10.37PIBralsford, Harris, et al., 1960RDSH
10.63 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.56 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.5 ± 0.1CH3PEDannacher, Schmelzer, et al., 1979LLK
CF+15.43?EILifshitz and Long, 1963RDSH
C2HF+13.7 ± 0.1H2PEDannacher, Schmelzer, et al., 1979LLK
C2HF+13.72H2PIReinke, Baumgartel, et al., 1974LLK
C2HF+13.72 ± 0.02H2PIReinke, Kraessig, et al., 1973LLK
C2HF+14.04H2EILifshitz and Long, 1963RDSH
C2H2+13.30HFPEDannacher, Schmelzer, et al., 1979LLK
C2H2+13.51HFPIReinke, Baumgartel, et al., 1974LLK
C2H2+13.51 ± 0.02HFPIReinke, Kraessig, et al., 1973LLK
C2H2+13.7 ± 0.1HFEILifshitz and Long, 1963RDSH
C2H2F+13.55HPEDannacher, Schmelzer, et al., 1979LLK
C2H2F+13.56HPIReinke, Baumgartel, et al., 1974LLK
C2H2F+13.56 ± 0.04HPIReinke, Kraessig, et al., 1973LLK
C2H2F+14.02HEILifshitz and Long, 1963RDSH
C2H3+13.9 ± 0.1FPEDannacher, Schmelzer, et al., 1979LLK
C2H3+13.84FPIReinke, Baumgartel, et al., 1974LLK
C2H3+13.84 ± 0.04FPIReinke, Kraessig, et al., 1973LLK
C2H3+14.4 ± 0.1FEILifshitz and Long, 1963RDSH

De-protonation reactions

C2H2F- + Hydrogen cation = Ethene, fluoro-

By formula: C2H2F- + H+ = C2H3F

Quantity Value Units Method Reference Comment
Deltar386.7 ± 4.1kcal/molG+TSRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B
Quantity Value Units Method Reference Comment
Deltar379.0 ± 4.0kcal/molIMRBRabasco and Kass, 1992gas phase; Comparable to PhF. Vinyl anion structure proved, rxn with D2O -> more stable HC«equiv»CH..F-; B

References

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]

Bieri, Niessen, et al., 1981
Bieri, G.; Niessen, W.V.; Asbrink, L.; Svensson, A., The He(II) photoelectron spectra of the fluorosubstituted ethylenes and their analysis by the green's function method, Chem. Phys., 1981, 60, 61. [all data]

Dannacher, Schmelzer, et al., 1979
Dannacher, J.; Schmelzer, A.; Stadelmann, J.-P.; Vogt, J., A photoelectron-photoion coincidence study of vinylfluoride, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 175. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon «pi» electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Williamson and Beauchamp, 1976
Williamson, A.D.; Beauchamp, J.L., Ion molecule reactions in vinyl fluoride by photoionization. Effects of vibrational excitation on major reaction pathways, J. Chem. Phys., 1976, 65, 3196. [all data]

Reinke, Baumgartel, et al., 1974
Reinke, D.; Baumgartel, H.; Cvitas, T.; Klasinc, L.; Gusten, H., Vergleich der Photoelektronenspektren und Photoionenspektren von Vinylfluorid, Ber. Bunsen-Ges. Phys. Chem., 1974, 78, 1145. [all data]

Reinke, Kraessig, et al., 1973
Reinke, D.; Kraessig, R.; Baumgartel, H., Photoreactions of small organic molecules, Z. Naturforsch. A:, 1973, 28, 1021. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., Photoelectron spectra of halogenated ethylenes, Proc. Roy. Soc. (London), 1970, A315, 323. [all data]

Momigny, 1963
Momigny, J., Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives, Nature, 1963, 199, 1179. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Sell and Kuppermann, 1979
Sell, J.A.; Kuppermann, A., Variable angle photoelectron spectroscopy of the fluoroethylenes, J. Chem. Phys., 1979, 71, 4703. [all data]

Lifshitz and Long, 1963
Lifshitz, C.; Long, F.A., Appearance potentials and mass spectra of fluorinated ethylenes. I. Decomposition mechanisms and their energetics, J. Phys. Chem., 1963, 67, 2463. [all data]

Rabasco and Kass, 1992
Rabasco, J.J.; Kass, S.R., Reactions of Strong Bases with Vinyl Fluoride Formation and Characterization of 1-Fluorovinyl Anion and the Fluoride-Acetylene Hydrogen-Bond, J. Am. Soc. Mass Spectrom., 1992, 3, 2, 91, https://doi.org/10.1016/1044-0305(92)87041-V . [all data]


Notes

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