Tetrafluoromethane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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)≤14.7eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)126.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity120.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
16.2 ± 0.1EIKime, Driscoll, et al., 1987LBLHLM
15.3PENovak, Potts, et al., 1985LBLHLM
16.2PECarlson, Fahlman, et al., 1984LBLHLM
≤14.7EVALRosenstock, Draxl, et al., 1977LLK
16.5PELloyd and Roberts, 1975LLK
15.7PELloyd and Roberts, 1975LLK
16.2PEBieri, Asbrink, et al., 1981Vertical value; LLK
16.26PEUehara, Saito, et al., 1973Vertical value; LLK
16.25 ± 0.04PEJonas, Schweitzer, et al., 1973Vertical value; LLK
16.20EIHarshbarger, Robin, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+31.5 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF+22.6 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF2+20.3 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF3+14.24 ± 0.07FENDFischer and Armentrout, 1990LL
CF3+14.2 ± 0.1FDERTichy, Javahery, et al., 1987LBLHLM
CF3+14.7 ± 0.3FPIPowis, 1980LLK
CF3+14.9 ± 0.1FPIPECOSimm, Danby, et al., 1975LLK
CF3+≤14.84 ± 0.05FPIPECOBrehm, Frey, et al., 1974LLK
CF3+≤15.35FPIWalter, Lifshitz, et al., 1969RDSH
CF3+15.52 ± 0.02FPINoutary, 1968RDSH
CF3+15.56 ± 0.01FPICook and Ching, 1965RDSH
F+24.0 ± 1.0?EIBibby, Toubelis, et al., 1965RDSH

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

VSVery strong
SStrong
iaInactive
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
D6~15 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