Ethane, hexafluoro-

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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
13.6PEInghram, Hanson, et al., 1980LLK
14.4PEInghram, Hanson, et al., 1980Vertical value; LLK
14.6PESauvageau, Doucet, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+16.75?PINoutary, 1968RDSH
CF+16.1?EISmith and Kevan, 1967RDSH
CF3+13.62 ± 0.015CF3PINoutary, 1968RDSH
C2F4+20.7?EISmith and Kevan, 1967RDSH
C2F5+14.94 ± 0.05FPIPECOSimm, Danby, et al., 1975LLK
C2F5+15.46 ± 0.02FPINoutary, 1968RDSH
F+22.6?EIBibby and Carter, 1963RDSH

IR Spectrum

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 3610

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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: Takehiko Shimanouchi

Symmetry:   D3d     Symmetry Number σ = 6


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1g 1 CC str 1228  D  ia 1228 gas OC ( )Mean value of frequencies obtained from six combination bands.
a1g 2 CF3 s-str 807  C  ia 807 VS p gas
a1g 3 CF3 s-deform 348  C  ia 348 W p gas
a1u 4 Torsion 68  D  ia  ia CF
a2u 5 CF3 s-str 1117  B 1117 VS gas  ia
a2u 6 CF3 s-deform 714  B 714 VS gas  ia
eg 7 CF3 d-str 1250  C  ia 1250 VW dp gas
eg 8 CF3 d-deform 619  C  ia 619 W dp gas
eg 9 CF3 rock 372  C  ia 372 W dp gas
eu 10 CF3 d-str 1251  B 1251 VS gas  ia
eu 11 CF3 d-deform 520  C 520 S gas  ia
eu 12 CF3 rock 220  C 220 S gas  ia

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
VWVery weak
iaInactive
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
CFCalculated frequency
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPorapack Q156.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes

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

Inghram, Hanson, et al., 1980
Inghram, M.G.; Hanson, G.R.; Stockbauer, R., The fragmentation of C2F6, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 253. [all data]

Sauvageau, Doucet, et al., 1974
Sauvageau, P.; Doucet, J.; Gilbert, R.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoroethanes, J. Chem. Phys., 1974, 61, 391. [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]

Smith and Kevan, 1967
Smith, D.; Kevan, L., Dissociative charge exchange of rare-gas ions with C2F6 and C3F8, J. Chem. Phys., 1967, 46, 1586. [all data]

Simm, Danby, et al., 1975
Simm, I.G.; Danby, C.J.; Eland, J.H.D.; Mansell, P.I., Translational energy release in the loss of fluorine atoms from the ions SF6+, CF4+ and C2F6+, J. Chem. Soc., 1975, 426. [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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]


Notes

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