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(E)-1,2-Difluoroethylene


Reaction 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

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Individual Reactions

C2H2F2 = (Z)-1,2-Difluoroethylene

By formula: C2H2F2 = C2H2F2

Quantity Value Units Method Reference Comment
Deltar-1.08 ± 0.12kcal/molEqkCraig, Piper, et al., 1971gas phase

(Z)-1,2-Difluoroethylene = C2H2F2

By formula: C2H2F2 = C2H2F2

Quantity Value Units Method Reference Comment
Deltar0.93kcal/molEqkCraig and Entemann, 1961gas phase

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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

View reactions leading to C2H2F2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)164.6kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity157.2kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.15PIFrenking, Koch, et al., 1984LBLHLM
10.21 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.15 ± 0.02PIJochims, Lohr, et al., 1979LLK
10.21PESell, Mintz, et al., 1978LLK
10.63 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.38 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK
10.39 ± 0.02PEJochims, Lohr, et al., 1979Vertical value; LLK
10.38PEBrundle, Robin, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.45CH2FPIFrenking, Koch, et al., 1984LBLHLM
CF+14.5 ± 0.1?PIStadelmann and Vogt, 1980LLK
CF+14.45 ± 0.03CH2FPIJochims, Lohr, et al., 1979LLK
CHF+18.1 ± 0.2CHFPIStadelmann and Vogt, 1980LLK
CH2F+14.35CFPIFrenking, Koch, et al., 1984LBLHLM
CH2F+14.3 ± 0.1CFPIStadelmann and Vogt, 1980LLK
CH2F+14.35 ± 0.03CFPIJochims, Lohr, et al., 1979LLK
C2HF+13.70HFPIFrenking, Koch, et al., 1984LBLHLM
C2HF+13.7 ± 0.1HFPIStadelmann and Vogt, 1980LLK
C2HF+13.70 ± 0.03HFPIJochims, Lohr, et al., 1979LLK
C2HF2+15.4 ± 0.2HPIStadelmann and Vogt, 1980LLK
C2H2+18.3 ± 0.2?PIStadelmann and Vogt, 1980LLK
C2H2F+13.97FPIFrenking, Koch, et al., 1984LBLHLM
C2H2F+13.9 ± 0.1FPIStadelmann and Vogt, 1980LLK
C2H2F+13.95 ± 0.03FPIJochims, Lohr, et al., 1979LLK

References

Go To: Top, Reaction thermochemistry data, 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.

Craig, Piper, et al., 1971
Craig, N.C.; Piper, L.G.; Wheeler, V.L., Thermodynamics of cis-trans isomerizations. II. The 1-chloro-2-fluoroethylenes, 1,2-difluorocyclopropanes, and related molecules, J. Phys. Chem., 1971, 75, 1453-1460. [all data]

Craig and Entemann, 1961
Craig, N.C.; Entemann, E.A., Thermodynamics of cis-trans isomerizations. The 1,2-difluoroethylenes, J. Am. Chem. Soc., 1961, 83, 3047-3050. [all data]

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]

Jochims, Lohr, et al., 1979
Jochims, H.-W.; Lohr, W.; Baumgartel, H., Photoreactions of small organic molecules. VI. Photoionization processes of difluoroethylenes, Nouv. J. Chim., 1979, 3, 109. [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]

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

Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H., Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules, J. Am. Chem. Soc., 1972, 94, 1451. [all data]

Stadelmann and Vogt, 1980
Stadelmann, J.P.; Vogt, J., A photoelectron-photoion coincidence study of cis- and trans- difluoroethene, Int. J. Mass Spectrom. Ion Phys., 1980, 35, 83. [all data]


Notes

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