Ethene, trifluoro-
- Formula: C2HF3
- Molecular weight: 82.0245
- IUPAC Standard InChIKey: MIZLGWKEZAPEFJ-UHFFFAOYSA-N
- CAS Registry Number: 359-11-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Trifluoroethylene; Ethylene, trifluoro-; Ethylene trifluoride; Trifluoroethene; C2HF3
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Gas phase ion energetics data
Go To: Top, 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:
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) | 10.14 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 167.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 159.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.14 ± 0.02 | PE | Bieri, Niessen, et al., 1981 | LLK |
10.14 | PE | Sell, Mintz, et al., 1978 | LLK |
10.14 | PI | Bralsford, Harris, et al., 1960 | RDSH |
10.62 ± 0.02 | PE | Bieri, Niessen, et al., 1981 | Vertical value; LLK |
10.54 ± 0.02 | PE | Sell and Kuppermann, 1979 | Vertical value; LLK |
10.53 | PE | Brundle, Robin, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 15.2 | ? | EI | Lifshitz and Long, 1963 | RDSH |
CF2+ | 19.28 | ? | EI | Lifshitz and Long, 1963 | RDSH |
CHF+ | 15.38 | CF2? | EI | Lifshitz and Long, 1963 | RDSH |
CHF2+ | 14.22 | CF | EI | Lifshitz and Long, 1963 | RDSH |
C2F2+ | 14.83 | ? | EI | Lifshitz and Long, 1963 | RDSH |
C2HF+ | 20.0 | ? | EI | Lifshitz and Long, 1963 | RDSH |
C2HF2+ | 16.13 | F | EI | Lifshitz and Long, 1963 | RDSH |
De-protonation reactions
C2F3- + =
By formula: C2F3- + H+ = C2HF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 389.5 ± 5.8 | kcal/mol | D-EA | Spyrou, Sauers, et al., 1983 | gas phase; From C3F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV, and HOF(A-) of -110 kcal/mol.; B |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 254. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 π 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]
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]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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