Ethene, 1,1-difluoro-

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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:
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

View reactions leading to C2H2F2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.29 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)175.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity168.5kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.29PIFrenking, Koch, et al., 1984LBLHLM
10.29 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.29PESell, Mintz, et al., 1978LLK
10.29 ± 0.01PIReinke, Kraessig, et al., 1973LLK
10.31PELake and Thompson, 1970RDSH
10.31 ± 0.02PIMomigny, 1963RDSH
10.30PIBralsford, Harris, et al., 1960RDSH
10.70 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.69 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.92CH2FPIFrenking, Koch, et al., 1984LBLHLM
CF+14.92 ± 0.02CH2FPIReinke, Kraessig, et al., 1973LLK
CF+15.23?EILifshitz and Long, 1963RDSH
CH2+16.99 ± 0.02CF2PIReinke, Kraessig, et al., 1973LLK
CH2+17.2 ± 0.1CF2EISyrvatka, Bel'ferman, et al., 1971LLK
CH2+17.8CF2EILifshitz and Long, 1963RDSH
CH2F+14.84CFPIFrenking, Koch, et al., 1984LBLHLM
CH2F+14.84 ± 0.02CFPIReinke, Kraessig, et al., 1973LLK
CH2F+15.08CFEILifshitz and Long, 1963RDSH
C2HF+14.18HFPIFrenking, Koch, et al., 1984LBLHLM
C2HF+14.18 ± 0.03HFPIReinke, Kraessig, et al., 1973LLK
C2HF+14.44HFEILifshitz and Long, 1963RDSH
C2HF2+15.80 ± 0.04HPIReinke, Kraessig, et al., 1973LLK
C2HF2+16.67HEILifshitz and Long, 1963RDSH
C2H2+19.08 ± 0.032FPIReinke, Kraessig, et al., 1973LLK
C2H2+19.8 ± 0.1?EILifshitz and Long, 1963RDSH
C2H2F+14.37FPIFrenking, Koch, et al., 1984LBLHLM
C2H2F+14.37 ± 0.02FPIReinke, Kraessig, et al., 1973LLK
C2H2F+14.80FEILifshitz and Long, 1963RDSH

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101214.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPorapack Q194.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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]

Frenking, Koch, et al., 1984
Frenking, G.; Koch, W.; Schaale, M.; Baumgartel, H., The unimolecular decay of difluoroethene cations. An experimental and quantum-chemical study, Int. J. Mass Spectrom. Ion Phys., 1984, 61, 305. [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]

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

Syrvatka, Bel'ferman, et al., 1971
Syrvatka, B.G.; Bel'ferman, A.L.; Gil'burd, M.M.; Moin, F.B., Determination of the dissociation energy of the double bond in some fluorochloro-substituted ethylenes and their ions by electron bombardment, J. Org. Chem. USSR, 1971, 7, 8, In original 9. [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]


Notes

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