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Propyl,heptafluoro

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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 C3F7+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
>2.70 ± 0.20EIAESpyrou, Hunter, et al., 1985From i-C5F12; B
>2.70 ± 0.20EIAESpyrou, Hunter, et al., 1985From i-C5F12; B
>2.65 ± 0.10EIAESpyrou, Hunter, et al., 1985From i-C4F10; B
>2.60 ± 0.15EIAESpyrou, Sauers, et al., 1983From n-C5F12; B
>2.65 ± 0.20EIAESpyrou, Sauers, et al., 1983From i-C4F10; B
>2.65 ± 0.40EIAESpyrou, Sauers, et al., 1983From C3F8.; B
>2.50 ± 0.40EIAESpyrou, Sauers, et al., 1983From n-C4F10. G3MP2B3 calculations indicate an EA of ca.1.9 eV, and HOF(A-) of -260 kcal/mol; B
>2.75 ± 0.10EIAESpyrou, Sauers, et al., 1983From n-C6F14; B
>2.20 ± 0.20EIAEHarland and Thynne, 1973From n-C4F10. G3MP2B3 calculations indicate an EA of ca.1.9 eV, and HOF(A-) of -260 kcal/mol; B
>2.30 ± 0.20EIAEHarland and Thynne, 1972From C3F8.; B
>2.39999EIAELifshitz and Grajower, 1969From C3F8.; B
>3.40 ± 0.30EIAESpyrou, Hunter, et al., 1985From neo-C5F12; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.1 ± 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' 1 CF3 a-stretch 1354 m Ar IR Butler and Snelson, 1980
2 CF3 s-stretch 1231 s Ar IR Butler and Snelson, 1980
3 CF2 s-stretch 1222 vs Ar IR Butler and Snelson, 1980
4 CF2. s-stretch 1116 s Ar IR Butler and Snelson, 1980
5 C3 s-stretch 1016 m Ar IR Butler and Snelson, 1980
6 C3 a-stretch 888 m Ar IR Butler and Snelson, 1980
7 CF3 s-deform. 750 m Ar IR Butler and Snelson, 1980
8 CF2 s-deform. 703 w Ar IR Butler and Snelson, 1980
9 CF2 s-deform. 638 m Ar IR Butler and Snelson, 1980
10 CF3 a-deform. 520 w Ar IR Butler and Snelson, 1980
11 CF2 wag 395 w Ar IR Butler and Snelson, 1980
12 CF2 wag 306 w Ar IR Butler and Snelson, 1980
13 CF3 rock 220 w Ar IR Butler and Snelson, 1980
14 C3 bend 273 w Ar IR Butler and Snelson, 1980
a 16 CF2 a-stretch 1285 vs Ar IR Butler and Snelson, 1980
17 CF3 a-stretch 1260 m Ar IR Butler and Snelson, 1980
18 CF2. a-stretch 1191 s Ar IR Butler and Snelson, 1980
19 CF3 a-deform. 608 w Ar IR Butler and Snelson, 1980
20 CF2 twist 472 w Ar IR Butler and Snelson, 1980
21 CF2 twist 401 w Ar IR Butler and Snelson, 1980
22 CF2 rock 265 w Ar IR Butler and Snelson, 1980
23 CF3 rock 248 w Ar IR Butler and Snelson, 1980

Additional references: Jacox, 1994, page 405; Compton and Rayner, 1982

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, Hunter, et al., 1985
Spyrou, S.M.; Hunter, S.R.; Christophorou, L.G., A study of the isomeric dependence of low-energy (<10 eV) electron attachment: Perfluoroalkanes, J. Chem. Phys., 1985, 83, 641. [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]

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 III. n-C3F7 and iso-C3F7, J. Fluorine Chem., 1980, 16, 1, 33, https://doi.org/10.1016/S0022-1139(00)85147-7 . [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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