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Pentafluoro ethyl radical

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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C2F5+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.81 ± 0.15D-EASullivan and Beauchamp, 1976Between tBuOH and HF; value altered from reference due to change in acidity scale; B
1.90 ± 0.20EIAESpyrou, Sauers, et al., 1983From C2F6, relative to F- appearance energy; B
2.20 ± 0.30EIAEHarland and Thynne, 1973From n-C4F10. G3MP2B3 calculations indicate an EA of ca.1.9 eV, and HOF(A-) of -260 kcal/mol; B
2.10 ± 0.20EIAEHarland and Thynne, 1972From C3F8.; B
2.2983EIAELifshitz and Grajower, 1969From C3F8.; B
2.39999EIAEMacNeil and Thynne, 1969From C2F6; B
>3.29997EIAEBibby and Carter, 1963From C3F8.; B
>2.15 ± 0.30SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
10. ± 0.1EIFisher, Homer, et al., 1965RDSH

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' CF3 a-stretch 1273 vs Ar IR Butler and Snelson, 1980
Jacox, 1984
CF3 s-stretch 1227 s Ar IR Butler and Snelson, 1980
Jacox, 1984
CF2 s-stretch 1117 s Ar IR Butler and Snelson, 1980
Jacox, 1984
C-C stretch 956 w Ar IR Butler and Snelson, 1980
Jacox, 1984
CF3 s-deform. 703 m Ar IR Butler and Snelson, 1980
Jacox, 1984
CF2 s-deform. 694 w Ar IR Butler and Snelson, 1980
CF3 a-deform. 514 w Ar IR Butler and Snelson, 1980
Jacox, 1984
CF2 wag 366 w Ar IR Butler and Snelson, 1980
CF3 rock 211 w Ar IR Butler and Snelson, 1980
a CF3 a-stretch 1398 w Ar IR Butler and Snelson, 1980
Jacox, 1984
CF2 a-stretch 1184 vs Ar IR Butler and Snelson, 1980
Jacox, 1984
CF3 a-deform. 604 w Ar IR Butler and Snelson, 1980
Jacox, 1984
CF2 twist 419 w Ar IR Butler and Snelson, 1980
Jacox, 1984
CF3 rock 227 w Ar IR Butler and Snelson, 1980

Additional references: Jacox, 1994, page 371; Compton and Rayner, 1982

Notes

wWeak
mMedium
sStrong
vsVery strong

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sullivan and Beauchamp, 1976
Sullivan, S.A.; Beauchamp, J.L., Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity, J. Am. Chem. Soc., 1976, 98, 1160. [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]

Harland and Thynne, 1973
Harland, P.W.; Thynne, J.C.J., Negative ion formation by perfluoro-n-butane as the result of low energy electron impact, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 445. [all data]

Harland and Thynne, 1972
Harland, P.W.; Thynne, J.C.J., Dissociative electron capture in perfluoropropylene and perfluoropropane, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 253. [all data]

Lifshitz and Grajower, 1969
Lifshitz, C.; Grajower, R., Dissociative electron capture and dissociative ionization in perfluoropropane, Intern. J. Mass Spectrom. Ion Phys., 1969, 3, 211. [all data]

MacNeil and Thynne, 1969
MacNeil, K.A.G.; Thynne, J.C.J., Ionization and Dissociation of Hexafluoroethane, and of 1,1,1-Trifluoroethane and Fluoroform, by Electron Impact, Int. J. Mass Spectrom. Ion Phys., 1969, 2, 1, 1, https://doi.org/10.1016/0020-7381(69)80001-X . [all data]

Bibby and Carter, 1963
Bibby, M.M.; Carter, G., Ionization and dissociation in some fluorocarbon gases, J. Chem. Soc. Faraday Trans., 1963, 59, 2455. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Fisher, Homer, et al., 1965
Fisher, I.P.; Homer, J.B.; Lossing, F.P., Free radicals by mass spectrometry. XXXIII. Ionization potentials of CF2, CF3CF2, CF3CH2, n-C3F7, and i-C3F7 radicals, J. Am. Chem. Soc., 1965, 87, 957. [all data]

Butler and Snelson, 1980
Butler, R.; Snelson, A., IR matrix isolation spectra of some perfluoro organic-free radicals Part 1. C2F5, J. Fluorine Chem., 1980, 15, 2, 89, https://doi.org/10.1016/S0022-1139(00)82586-5 . [all data]

Jacox, 1984
Jacox, M.E., Infrared spectrum of the pentafluoroethyl free radical trapped in solid argon in discharge sampling experiments, J. Phys. Chem., 1984, 88, 3, 445, https://doi.org/10.1021/j150647a024 . [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]

Compton and Rayner, 1982
Compton, D.A.C.; Rayner, D.M., An analysis of the vibrational spectra of pentafluoroiodoethane, n-perfluoropropyl iodide, and the corresponding perfluoroalkyl radicals, C2F5.cntdot. and n-C3F7.cntdot., J. Phys. Chem., 1982, 86, 9, 1628, https://doi.org/10.1021/j100206a030 . [all data]


Notes

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