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Ethene, trifluoro-

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Gas phase 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

Quantity Value Units Method Reference Comment
Deltafgas-474.0 ± 8.4kJ/molCcbKolesov, Martynov, et al., 1962 
Quantity Value Units Method Reference Comment
Deltacgas-976.5 ± 8.4kJ/molCcbKolesov, Martynov, et al., 1962 

Phase change 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: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil222.KN/APCR Inc., 1990 

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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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, trifluoro- = (Fluorine anion bullet Ethene, trifluoro-)

By formula: F- + C2HF3 = (F- bullet C2HF3)

Quantity Value Units Method Reference Comment
Deltar110. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar102. ± 25.kJ/molIMRBSullivan and Beauchamp, 1976gas phase; B
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar78.2 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

C2F3- + Hydrogen cation = Ethene, trifluoro-

By formula: C2F3- + H+ = C2HF3

Quantity Value Units Method Reference Comment
Deltar1630. ± 24.kJ/molD-EASpyrou, Sauers, et al., 1983gas phase; From C3F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV, and HOF(A-) of -110 kcal/mol.; B

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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.14eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)699.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity666.9kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.14 ± 0.02PEBieri, Niessen, et al., 1981LLK
10.14PESell, Mintz, et al., 1978LLK
10.14PIBralsford, Harris, et al., 1960RDSH
10.62 ± 0.02PEBieri, Niessen, et al., 1981Vertical value; LLK
10.54 ± 0.02PESell and Kuppermann, 1979Vertical value; LLK
10.53PEBrundle, Robin, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+15.2?EILifshitz and Long, 1963RDSH
CF2+19.28?EILifshitz and Long, 1963RDSH
CHF+15.38CF2?EILifshitz and Long, 1963RDSH
CHF2+14.22CFEILifshitz and Long, 1963RDSH
C2F2+14.83?EILifshitz and Long, 1963RDSH
C2HF+20.0?EILifshitz and Long, 1963RDSH
C2HF2+16.13FEILifshitz and Long, 1963RDSH

De-protonation reactions

C2F3- + Hydrogen cation = Ethene, trifluoro-

By formula: C2F3- + H+ = C2HF3

Quantity Value Units Method Reference Comment
Deltar1630. ± 24.kJ/molD-EASpyrou, Sauers, et al., 1983gas phase; From C3F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV, and HOF(A-) of -110 kcal/mol.; B

Ion clustering 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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, trifluoro- = (Fluorine anion bullet Ethene, trifluoro-)

By formula: F- + C2HF3 = (F- bullet C2HF3)

Quantity Value Units Method Reference Comment
Deltar110. ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M
Deltar102. ± 25.kJ/molIMRBSullivan and Beauchamp, 1976gas phase; B
Quantity Value Units Method Reference Comment
Deltar107.J/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar78.2 ± 8.4kJ/molIMRELarson and McMahon, 1983gas phase; B,M

Mass spectrum (electron ionization)

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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

Spectrum

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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 473

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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

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Column type Active phase I Reference Comment
CapillaryOV-101254.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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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.

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]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [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]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Spyrou, Sauers, et al., 1983
Spyrou, S.M.; Sauers, I.; Christophorou, L.G., Electron attachment to the perfluoroalkanes n-CnF2n+2 (n = 1-6) and i-C4F10, J. Chem. Phys., 1983, 78, 7200. [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]

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 «pi» electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [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]

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]

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]

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


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References