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Trifluorovinyl radical


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 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
Deltaf(+) ion189.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
2.06 ± 0.22R-ASpyrou, Sauers, et al., 1983From C3F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV, and HOF(A-) of -110 kcal/mol.; B
>1.60001EIAESauers, Christophorou, et al., 1979From CF3CF=CFCF3. G3MP2B3 calculations indicate an EA of ca. 2.4 eV; B
2.00 ± 0.40EIAELifshitz and Grajower, 1972From cyclo-C4F8. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B
2.00 ± 0.40EIAEThynne and MacNeil, 1970From C2F4. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B
3.10 ± 0.30EIAEHarland and Thynne, 1975From CF3CHO. G3MP2B3 calculations indicate an EA of ca. 2.4 eV.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.2DERLias, Bartmess, et al., 1988LL

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

wWeak
mMedium
sStrong
vsVery 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

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