Tetrafluoromethane
- Formula: CF4
- Molecular weight: 88.0043
- IUPAC Standard InChI: InChI=1S/CF4/c2-1(3,4)5
- IUPAC Standard InChIKey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
- CAS Registry Number: 75-73-0
- 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: Carbon tetrafluoride; Methane, tetrafluoro-; Arcton 0; Carbon fluoride (CF4); Freon 14; FC 14; Perfluoromethane; CF4; Halon 14; Carbon fluoride; F 14; Halocarbon 14; R 14; UN 1982; Refrigerant 14; CFC 14; R 14 (Refrigerant); Refrigerant R 14; Methane, tetrafluo-
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | ≤14.7 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 126.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 120.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 16.2 ± 0.1 | EI | Kime, Driscoll, et al., 1987 | LBLHLM |
| 15.3 | PE | Novak, Potts, et al., 1985 | LBLHLM |
| 16.2 | PE | Carlson, Fahlman, et al., 1984 | LBLHLM |
| ≤14.7 | EVAL | Rosenstock, Draxl, et al., 1977 | LLK |
| 16.5 | PE | Lloyd and Roberts, 1975 | LLK |
| 15.7 | PE | Lloyd and Roberts, 1975 | LLK |
| 16.2 | PE | Bieri, Asbrink, et al., 1981 | Vertical value; LLK |
| 16.26 | PE | Uehara, Saito, et al., 1973 | Vertical value; LLK |
| 16.25 ± 0.04 | PE | Jonas, Schweitzer, et al., 1973 | Vertical value; LLK |
| 16.20 | EI | Harshbarger, Robin, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C+ | 31.5 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
| CF+ | 22.6 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
| CF2+ | 20.3 ± 0.5 | ? | EI | Dibeler, Reese, et al., 1956 | RDSH |
| CF3+ | 14.24 ± 0.07 | F | END | Fischer and Armentrout, 1990 | LL |
| CF3+ | 14.2 ± 0.1 | F | DER | Tichy, Javahery, et al., 1987 | LBLHLM |
| CF3+ | 14.7 ± 0.3 | F | PI | Powis, 1980 | LLK |
| CF3+ | 14.9 ± 0.1 | F | PIPECO | Simm, Danby, et al., 1975 | LLK |
| CF3+ | ≤14.84 ± 0.05 | F | PIPECO | Brehm, Frey, et al., 1974 | LLK |
| CF3+ | ≤15.35 | F | PI | Walter, Lifshitz, et al., 1969 | RDSH |
| CF3+ | 15.52 ± 0.02 | F | PI | Noutary, 1968 | RDSH |
| CF3+ | 15.56 ± 0.01 | F | PI | Cook and Ching, 1965 | RDSH |
| F+ | 24.0 ± 1.0 | ? | EI | Bibby, Toubelis, et al., 1965 | 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: Td Symmetry Number σ = 12
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 909 | B | ia | 908.5 S | gas | |||
| e | 2 | Deg deform | 435 | B | ia | 435.0 S | gas | |||
| f2 | 3 | Deg str | 1281 | D | ? | gas | ? | gas | FR(2ν4) | |
| f2 | 4 | Deg deform | 632 | B | 631.73 VS | gas | 631.2 S | gas | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| ia | Inactive |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A.,
The stability of the carbon tetrahalide ions,
J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]
Novak, Potts, et al., 1985
Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B.,
Photoelectron asymmetry measurements for CHF3 and CF4 in the photon energy range 19 to 80 eV,
J. Phys. B:, 1985, 18, 1581. [all data]
Carlson, Fahlman, et al., 1984
Carlson, T.A.; Fahlman, A.; Svensson, W.A.; Krause, M.O.; Whitley, T.A.; Grimm, F.A.; Piancastelli, M.N.; Taylor, J.W.,
Angle-resolved photoelectron cross section of CF4,
J. Chem. Phys., 1984, 81, 3828. [all data]
Rosenstock, Draxl, et al., 1977
Rosenstock, H.M.; Draxl, K.; Steiner, B.W.; Herron, J.T.,
Energetics of gaseous ions,
J. Phys. Chem. Ref. Data, 1977, 6. [all data]
Lloyd and Roberts, 1975
Lloyd, D.R.; Roberts, P.J.,
Photoelectron spectra of halides. VII. Variable temperature He(I) and He(II) studies of CF4, SiF4, and GeF4,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 325. [all data]
Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F),
J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]
Uehara, Saito, et al., 1973
Uehara, Y.; Saito, N.; Yonezawa, T.,
Ionization potentials of trifluoromethyl and methyl halides by photoelectron spectroscopy and calculations by extended Hucket and CNDO/2 methods,
Chem. Lett., 1973, 495. [all data]
Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A.,
The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]
Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N.,
The electron impact spectra of the fluoromethanes,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]
Dibeler, Reese, et al., 1956
Dibeler, V.H.; Reese, R.M.; Mohler, F.L.,
Ionization and dissociation of the trifluoromethyl halides by electron impact,
J. Res. NBS, 1956, 57, 113. [all data]
Fischer and Armentrout, 1990
Fischer, E.R.; Armentrout, P.B.,
The appearance energy of CF3+ from CF4: Ion/molecule reactions related to the thermochemistry of CF3+.,
Int. J. Mass Spectrom. Ion Processes, 1990, 101, 1. [all data]
Tichy, Javahery, et al., 1987
Tichy, M.; Javahery, G.; Twiddy, N.D.; Ferguson, E.E.,
The thermal energy reactions HCl+ + SF6 Ü SF5+ + HF + Cl and HCl+ + CF4 Ü CF3+ + HF + Cl,
Int. J. Mass Spectrom. Ion Processes, 1987, 79, 231. [all data]
Powis, 1980
Powis, I.,
The dissociation of state-selected CF3X+ molecular ions,
Mol. Phys., 1980, 39, 311. [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]
Brehm, Frey, et al., 1974
Brehm, B.; Frey, R.; Kustler, A.; Eland, J.H.D.,
Kinetic energy release in ion fragmentation: N2O+, COS+ and CF4+ decays,
Int. J. Mass Spectrom. Ion Processes, 1974, 79, 251. [all data]
Walter, Lifshitz, et al., 1969
Walter, T.A.; Lifshitz, C.; Chupka, W.A.; Berkowitz, J.,
Mass-spectrometric study of the photoionization of C2F4 and CF4,
J. Chem. Phys., 1969, 51, 3531. [all data]
Noutary, 1968
Noutary, C.J.,
Mass spectrometric study of some fluorocarbons and trifluoromethyl halides,
J.Res. NBS, 1968, 72A, 479. [all data]
Cook and Ching, 1965
Cook, G.R.; Ching, B.K.,
Photoionization and absorption cross sections and fluorescence of CF4,
J. Chem. Phys., 1965, 43, 1794. [all data]
Bibby, Toubelis, et al., 1965
Bibby, M.M.; Toubelis, B.J.; Carter, G.,
Ionization and dissociation in CF4,
Electron. Letters, 1965, 1, 50. [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 IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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