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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(+) ion791.kJ/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, 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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