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, NIST Free Links, 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
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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: 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, NIST Free Links, 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
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- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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