(Z)-1,2-Difluoroethylene

Formula: C₂H₂F₂
Molecular weight: 64.0341
IUPAC Standard InChI: InChI=1S/C2H2F2/c3-1-2-4/h1-2H/b2-1-
IUPAC Standard InChIKey: WFLOTYSKFUPZQB-UPHRSURJSA-N
CAS Registry Number: 1630-77-9
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Ethene, 1,2-difluoro-, (Z)-
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Information on this page:
Other data available:
- Reaction thermochemistry data
- Vibrational and/or electronic energy levels
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase ion energetics data

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Data evaluated as indicated in comments:
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

View reactions leading to C₂H₂F₂⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.2	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.20	PI	Frenking, Koch, et al., 1984	LBLHLM
10.1	PE	Maier and Thommen, 1981	LLK
10.23 ± 0.02	PE	Bieri, Niessen, et al., 1981	LLK
10.20 ± 0.02	PI	Jochims, Lohr, et al., 1979	LLK
10.23	PE	Sell, Mintz, et al., 1978	LLK
10.62 ± 0.02	PE	Bieri, Niessen, et al., 1981	Vertical value; LLK
10.44 ± 0.02	PE	Sell and Kuppermann, 1979	Vertical value; LLK
10.41 ± 0.02	PE	Jochims, Lohr, et al., 1979	Vertical value; LLK
10.43	PE	Brundle, Robin, et al., 1972	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CF⁺	14.50	CH₂F	PI	Frenking, Koch, et al., 1984	LBLHLM
CF⁺	14.4 ± 0.1	?	PI	Stadelmann and Vogt, 1980	LLK
CF⁺	14.50 ± 0.03	CH₂F	PI	Jochims, Lohr, et al., 1979	LLK
CHF⁺	18.1 ± 0.2	CHF	PI	Stadelmann and Vogt, 1980	LLK
CH₂F⁺	14.40	CF	PI	Frenking, Koch, et al., 1984	LBLHLM
CH₂F⁺	14.3 ± 0.1	CF	PI	Stadelmann and Vogt, 1980	LLK
CH₂F⁺	14.40 ± 0.08	CF	PI	Jochims, Lohr, et al., 1979	LLK
C₂HF⁺	13.75	HF	PI	Frenking, Koch, et al., 1984	LBLHLM
C₂HF⁺	13.75 ± 0.03	HF	PI	Jochims, Lohr, et al., 1979	LLK
C₂HF₂⁺	14.9 ± 0.2	H	PI	Stadelmann and Vogt, 1980	LLK
C₂H₂⁺	18.4 ± 0.2	?	PI	Stadelmann and Vogt, 1980	LLK
C₂H₂F⁺	14.00	F	PI	Frenking, Koch, et al., 1984	LBLHLM
C₂H₂F⁺	13.9 ± 0.1	F	PI	Stadelmann and Vogt, 1980	LLK
C₂H₂F⁺	14.00 ± 0.03	F	PI	Jochims, Lohr, et al., 1979	LLK

Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	263.	Zenkevich, 2005	25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T_start: 50. C; T_end: 250. C

References

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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]

Maier and Thommen, 1981
Maier, J.P.; Thommen, F., Photoelectron-photon coincidence measurements of the fluorescence quantum yields of cis-1,2-difluoroethylene cation in selected levels of the A2A1 State, J. Chem. Soc. Faraday Trans. 2, 1981, 77, 845. [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 π 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]

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

Notes

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Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
IE (evaluated)	Recommended ionization energy