Trifluorovinyl radical
- Formula: C2F3
- Molecular weight: 81.0166
- IUPAC Standard InChI: InChI=1S/C2F3/c3-1-2(4)5
- IUPAC Standard InChIKey: MHNPWFZIRJMRKC-UHFFFAOYSA-N
- CAS Registry Number: 4605-17-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to C2F3+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°(+) ion | 791. | kJ/mol | N/A | N/A |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.06 ± 0.22 | R-A | Spyrou, Sauers, et al., 1983 | From C3F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV, and HOF(A-) of -110 kcal/mol.; B |
| >1.60001 | EIAE | Sauers, Christophorou, et al., 1979 | From CF3CF=CFCF3. G3MP2B3 calculations indicate an EA of ca. 2.4 eV; B |
| 2.00 ± 0.40 | EIAE | Lifshitz and Grajower, 1972 | From cyclo-C4F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B |
| 2.00 ± 0.40 | EIAE | Thynne and MacNeil, 1970 | From C2F4. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B |
| 3.10 ± 0.30 | EIAE | Harland and Thynne, 1975 | From CF3CHO. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.2 | DER | Lias, Bartmess, et al., 1988 | LL |
Vibrational and/or electronic energy levels
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: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a' | 1 | C=C stretch | 1780.4 | w m | Ar | IR | Wurfel, Thoma, et al., 1992 |
| 2 | CF stretch | 1290 ± 5 | gas | IR DL | Wurfel, Pugliano, et al., 1991 | ||
| 2 | CF stretch | 1282.4 | s | Ar | IR | Wurfel, Thoma, et al., 1992 | |
| 3 | CF stretch | 1225 ± 5 | gas | IR DL | Wurfel, Pugliano, et al., 1991 | ||
| 3 | CF stretch | 1216.9 | vs | Ar | IR | Wurfel, Thoma, et al., 1992 | |
| 4 | C2F3 s-stretch | 900.0 | w | Ar | IR | Wurfel, Thoma, et al., 1992 | |
Additional references: Jacox, 1994, page 287
Notes
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Sauers, Christophorou, et al., 1979
Sauers, I.; Christophorou, J.G.; Carter, J.G.,
Electron attachment to perfluorocarbon compounds. III. Fragmentation of aliphatic perfluorocarbons of interest to gaseous dielectrics,
J. Chem. Phys., 1979, 71, 3016. [all data]
Lifshitz and Grajower, 1972
Lifshitz, C.; Grajower, R.,
Dissociative electron capture and dissociative ionization in perfluorocyclobutane,
Int. J. Mass Spectrom. Ion Phys., 1972, 10, 25. [all data]
Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G.,
Ionisation of Tetrafluoroethylene by Electron Impact,
Int. J. Mass Spectrom. Ion Phys., 1970, 5, 3-4, 329, https://doi.org/10.1016/0020-7381(70)80026-2
. [all data]
Harland and Thynne, 1975
Harland, P.W.; Thynne, J.C.J.,
Dissociative eElectron cCapture in tTrifluoroacetaldehyde, pentafluoropropionaldehyde, and heptafluorobutyraldehyde,
Int. J. Mass Spectrom. Ion Phys., 1975, 18, 73. [all data]
Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G.,
Gas-phase ion and neutral thermochemistry,
J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]
Wurfel, Thoma, et al., 1992
Wurfel, B.E.; Thoma, A.; Bondybey, V.E.,
Vibrational spectroscopy of C2F3 in an Ar matrix,
Chem. Phys. Lett., 1992, 198, 1-2, 135, https://doi.org/10.1016/0009-2614(92)90061-Q
. [all data]
Wurfel, Pugliano, et al., 1991
Wurfel, B.E.; Pugliano, N.; Bradforth, S.E.; Saykally, R.J.; Pimentel, G.C.,
Broadband transient infrared laser spectroscopy of trifluorovinyl radical C2F3.cntdot.: experimental and ab initio results,
J. Phys. Chem., 1991, 95, 7, 2932, https://doi.org/10.1021/j100160a052
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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