Ethane, hexafluoro-
- Formula: C2F6
- Molecular weight: 138.0118
- IUPAC Standard InChIKey: WMIYKQLTONQJES-UHFFFAOYSA-N
- CAS Registry Number: 76-16-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Perfluoroethane; F-116; Freon 116; Hexafluoroethane; C2F6; Fluorocarbon 116; UN 2193; Freon 1166SY; 1,1,1,2,2,2-Hexafluoroethane; R 116; Ethane, 1,1,1,2,2,2-hexafluoro-; HFC 116
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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 |
---|---|---|---|
13.6 | PE | Inghram, Hanson, et al., 1980 | LLK |
14.4 | PE | Inghram, Hanson, et al., 1980 | Vertical value; LLK |
14.6 | PE | Sauvageau, Doucet, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 16.75 | ? | PI | Noutary, 1968 | RDSH |
CF+ | 16.1 | ? | EI | Smith and Kevan, 1967 | RDSH |
CF3+ | 13.62 ± 0.015 | CF3 | PI | Noutary, 1968 | RDSH |
C2F4+ | 20.7 | ? | EI | Smith and Kevan, 1967 | RDSH |
C2F5+ | 14.94 ± 0.05 | F | PIPECO | Simm, Danby, et al., 1975 | LLK |
C2F5+ | 15.46 ± 0.02 | F | PI | Noutary, 1968 | RDSH |
F+ | 22.6 | ? | EI | Bibby and Carter, 1963 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
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
VS | Very strong |
S | Strong |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
CF | Calculated frequency |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
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.
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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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