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(Z)-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-4.52 ± 0.50kJ/molEqkCraig, Piper, et al., 1971gas phase

(Z)-1,2-Difluoroethylene = C2H2F2

By formula: C2H2F2 = C2H2F2

Quantity Value Units Method Reference Comment
Deltar3.9kJ/molEqkCraig and Entemann, 1961gas phase

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:
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)10.2eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.20PIFrenking, Koch, et al., 1984LBLHLM
10.1PEMaier and Thommen, 1981LLK
10.23 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.20 ± 0.02PIJochims, Lohr, et al., 1979LLK
10.23PESell, Mintz, et al., 1978LLK
10.62 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.44 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK
10.41 ± 0.02PEJochims, Lohr, et al., 1979Vertical value; LLK
10.43PEBrundle, Robin, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+14.50CH2FPIFrenking, Koch, et al., 1984LBLHLM
CF+14.4 ± 0.1?PIStadelmann and Vogt, 1980LLK
CF+14.50 ± 0.03CH2FPIJochims, Lohr, et al., 1979LLK
CHF+18.1 ± 0.2CHFPIStadelmann and Vogt, 1980LLK
CH2F+14.40CFPIFrenking, Koch, et al., 1984LBLHLM
CH2F+14.3 ± 0.1CFPIStadelmann and Vogt, 1980LLK
CH2F+14.40 ± 0.08CFPIJochims, Lohr, et al., 1979LLK
C2HF+13.75HFPIFrenking, Koch, et al., 1984LBLHLM
C2HF+13.75 ± 0.03HFPIJochims, Lohr, et al., 1979LLK
C2HF2+14.9 ± 0.2HPIStadelmann and Vogt, 1980LLK
C2H2+18.4 ± 0.2?PIStadelmann and Vogt, 1980LLK
C2H2F+14.00FPIFrenking, Koch, et al., 1984LBLHLM
C2H2F+13.9 ± 0.1FPIStadelmann and Vogt, 1980LLK
C2H2F+14.00 ± 0.03FPIJochims, Lohr, et al., 1979LLK

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH str 3135  D 3135 W gas SF(«nu»8)
a1 2 CC str 1715  C 1715 S gas
a1 3 CH bend 1266  C 1266 S gas
a1 4 CF str 1014  C 1014 S gas
a1 5 CCF deform 255  D 255 W gas
a2 6 CH bend 866  E  ia CF ( )From product rule
a2 7 Torsion 482  E  ia CF ( )Calculated by assuming ?/?
b1 8 CH str 3135  D 3135 W gas SF(«nu»1)
b1 9 CH bend 1376  C 1376 S gas
b1 10 CF str 1127  C 1127 VS gas
b1 11 CCF deform 768  B 768 S gas
b2 12 CH bend 756  B 756 S gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
iaInactive
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

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-101263.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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]

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 «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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

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


Notes

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