Tetrafluoromethane

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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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)529.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity503.7kJ/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

Ion clustering data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Trifluoromethyl cation + Tetrafluoromethane = (Trifluoromethyl cation • Tetrafluoromethane)

By formula: CF3+ + CF4 = (CF3+ • CF4)

Quantity Value Units Method Reference Comment
Δr28.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr79.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 2Tetrafluoromethane)

By formula: (CF3+ • CF4) + CF4 = (CF3+ • 2CF4)

Quantity Value Units Method Reference Comment
Δr21.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 2Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 3Tetrafluoromethane)

By formula: (CF3+ • 2CF4) + CF4 = (CF3+ • 3CF4)

Quantity Value Units Method Reference Comment
Δr12.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr88.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 3Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 4Tetrafluoromethane)

By formula: (CF3+ • 3CF4) + CF4 = (CF3+ • 4CF4)

Quantity Value Units Method Reference Comment
Δr12.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

CF3- + Tetrafluoromethane = (CF3- • Tetrafluoromethane)

By formula: CF3- + CF4 = (CF3- • CF4)

Quantity Value Units Method Reference Comment
Δr15.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(CF3- • Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 2Tetrafluoromethane)

By formula: (CF3- • CF4) + CF4 = (CF3- • 2CF4)

Quantity Value Units Method Reference Comment
Δr14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(CF3- • 2Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 3Tetrafluoromethane)

By formula: (CF3- • 2CF4) + CF4 = (CF3- • 3CF4)

Quantity Value Units Method Reference Comment
Δr14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(CF3- • 3Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 4Tetrafluoromethane)

By formula: (CF3- • 3CF4) + CF4 = (CF3- • 4CF4)

Quantity Value Units Method Reference Comment
Δr14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr110.J/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated

CHF4+ + Tetrafluoromethane = (CHF4+ • Tetrafluoromethane)

By formula: CHF4+ + CF4 = (CHF4+ • CF4)

Quantity Value Units Method Reference Comment
Δr21.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(CHF4+ • Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 2Tetrafluoromethane)

By formula: (CHF4+ • CF4) + CF4 = (CHF4+ • 2CF4)

Quantity Value Units Method Reference Comment
Δr12.kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr46.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(CHF4+ • 2Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 3Tetrafluoromethane)

By formula: (CHF4+ • 2CF4) + CF4 = (CHF4+ • 3CF4)

Quantity Value Units Method Reference Comment
Δr9.6kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
Δr67.J/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(CHF4+ • 3Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 4Tetrafluoromethane)

By formula: (CHF4+ • 3CF4) + CF4 = (CHF4+ • 4CF4)

Quantity Value Units Method Reference Comment
Δr9.6kJ/molPHPMSHiraoka, Nasu, et al., 1996gas phase

C4H9+ + Tetrafluoromethane = (C4H9+ • Tetrafluoromethane)

By formula: C4H9+ + CF4 = (C4H9+ • CF4)

Quantity Value Units Method Reference Comment
Δr14.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase
Quantity Value Units Method Reference Comment
Δr43.5J/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase

Fluorine anion + Tetrafluoromethane = (Fluorine anion • Tetrafluoromethane)

By formula: F- + CF4 = (F- • CF4)

Quantity Value Units Method Reference Comment
Δr27.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(Fluorine anion • Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 2Tetrafluoromethane)

By formula: (F- • CF4) + CF4 = (F- • 2CF4)

Quantity Value Units Method Reference Comment
Δr25.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(Fluorine anion • 2Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 3Tetrafluoromethane)

By formula: (F- • 2CF4) + CF4 = (F- • 3CF4)

Quantity Value Units Method Reference Comment
Δr17.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr71.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(Fluorine anion • 3Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 4Tetrafluoromethane)

By formula: (F- • 3CF4) + CF4 = (F- • 4CF4)

Quantity Value Units Method Reference Comment
Δr16.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase
Quantity Value Units Method Reference Comment
Δr79.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase

(Fluorine anion • 4Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 5Tetrafluoromethane)

By formula: (F- • 4CF4) + CF4 = (F- • 5CF4)

Quantity Value Units Method Reference Comment
Δr10.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr79.J/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
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 701

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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: 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 Q82.Zenkevich and Rodin, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, 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]

Hiraoka, Nasu, et al., 1996
Hiraoka, K.; Nasu, M.; Fujimaki, S.; Ignacio, E.W.; Yamabe, S., Gas-Phase Stability and Structure of the Cluster Ions CF3+(CO)n, CF3+(N2)n, CF3+((CF4)n, and CF4H+(CF4)n, J. Phys. Chem., 1996, 100, 13, 5245, https://doi.org/10.1021/jp9530010 . [all data]

Hiraoka, Nasu, et al., 1995
Hiraoka, K.; Nasu, M.; Fujimaki, S.; Ignacio, E.W.; Yamabe, S., Weak Ion-Molecule Complexes of F-(CF4)n and CF3-(CF4)n, Chem Phys. Let., 1995, 245, 1, 14, https://doi.org/10.1016/0009-2614(95)00980-I . [all data]

Sharma, Meza de Hojer, et al., 1985
Sharma, D.M.S.; Meza de Hojer, S.; Kebarle, P., Stabilities of halonium ions from a study of gas-phase equilibria R+ + XR' = (RXR')+, J. Am. Chem. Soc., 1985, 107, 13, 3757, https://doi.org/10.1021/ja00299a002 . [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

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References