Ethene, 1,1-difluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Quantity Value Units Method Reference Comment
Δfgas-82.2 ± 2.4kcal/molCcbKolesov, Martynov, et al., 1962Reanalyzed by Cox and Pilcher, 1970, Original value = -79.6 ± 2.4 kcal/mol
Δfgas-77.7 ± 0.8kcal/molCcrNeugebauer and Margrave, 1957 
Δfgas-79.83 ± 0.20kcal/molCcbNeugebauer and Margrave, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -77.5 ± 0.8 kcal/mol
Quantity Value Units Method Reference Comment
Δcgas-259.8 ± 2.4kcal/molCcbKolesov, Martynov, et al., 1962 
Δcgas-262.2 ± 0.8kcal/molCcbNeugebauer and Margrave, 1956 

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Fluorine anion + Ethene, 1,1-difluoro- = (Fluorine anion • Ethene, 1,1-difluoro-)

By formula: F- + C2H2F2 = (F- • C2H2F2)

Quantity Value Units Method Reference Comment
Δr26.7 ± 5.0kcal/molTherSullivan and Beauchamp, 1976gas phase; From CH3CF3

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
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

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Fluorine anion + Ethene, 1,1-difluoro- = (Fluorine anion • Ethene, 1,1-difluoro-)

By formula: F- + C2H2F2 = (F- • C2H2F2)

Quantity Value Units Method Reference Comment
Δr26.7 ± 5.0kcal/molTherSullivan and Beauchamp, 1976gas phase; From CH3CF3

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes

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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 19017

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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 thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kolesov, Martynov, et al., 1962
Kolesov, V.P.; Martynov, A.M.; Shtekher, S.M.; Skuratov, S.M., Standard enthalpies of formation of 1,1-difluoroethylene and of trifluoroethylene, Russ. J. Phys. Chem. (Engl. Transl.), 1962, 36, 1118-1120. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Neugebauer and Margrave, 1957
Neugebauer, C.A.; Margrave, J.L., Heats of formation of the fluoromethanes and fluoroethylenes, Tech. Rept., 1957, 1-45. [all data]

Neugebauer and Margrave, 1956
Neugebauer, C.A.; Margrave, J.L., The heats of formation of tetrafluoroethylene, tetrafluoromethane and 1,1-difluoroethylene, J. Phys. Chem., 1956, 60, 1318-1321. [all data]

Sullivan and Beauchamp, 1976
Sullivan, S.A.; Beauchamp, J.L., Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity, J. Am. Chem. Soc., 1976, 98, 1160. [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]

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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References