Trifluoromethyl cation

Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
S°gas,1 bar60.834cal/mol*KReviewChase, 1998Data last reviewed in December, 1971

Reaction thermochemistry 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 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. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

By formula: (CF3+ • 2N2) + N2 = (CF3+ • 3N2)

Quantity Value Units Method Reference Comment
ΔrH°2.0kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°13.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

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

By formula: (CF3+ • 3N2) + N2 = (CF3+ • 4N2)

Quantity Value Units Method Reference Comment
ΔrH°1.8kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°14.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 4Nitrogen) + Nitrogen = (Trifluoromethyl cation • 5Nitrogen)

By formula: (CF3+ • 4N2) + N2 = (CF3+ • 5N2)

Quantity Value Units Method Reference Comment
ΔrH°1.5kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°12.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

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

By formula: (CF3+ • N2) + N2 = (CF3+ • 2N2)

Quantity Value Units Method Reference Comment
ΔrH°5.1kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 2Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 3Carbon monoxide)

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

Quantity Value Units Method Reference Comment
ΔrH°5.8kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 3Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 4Carbon monoxide)

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

Quantity Value Units Method Reference Comment
ΔrH°5.4kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°28.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 4Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 5Carbon monoxide)

By formula: (CF3+ • 4CO) + CO = (CF3+ • 5CO)

Quantity Value Units Method Reference Comment
ΔrH°3.2kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 5Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 6Carbon monoxide)

By formula: (CF3+ • 5CO) + CO = (CF3+ • 6CO)

Quantity Value Units Method Reference Comment
ΔrH°2.9kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°28.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • 6Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 7Carbon monoxide)

By formula: (CF3+ • 6CO) + CO = (CF3+ • 7CO)

Quantity Value Units Method Reference Comment
ΔrH°2.6kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°28.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

(Trifluoromethyl cation • Carbon monoxide) + Carbon monoxide = (Trifluoromethyl cation • 2Carbon monoxide)

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

Quantity Value Units Method Reference Comment
ΔrH°6.3kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°20.cal/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
ΔrH°2.9kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°21.cal/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
ΔrH°2.8kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°20.cal/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
ΔrH°4.9kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

Trifluoromethyl cation + Nitrogen = (Trifluoromethyl cation • Nitrogen)

By formula: CF3+ + N2 = (CF3+ • N2)

Quantity Value Units Method Reference Comment
ΔrH°7.0kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°24.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

Trifluoromethyl cation + Water = (Trifluoromethyl cation • Water)

By formula: CF3+ + H2O = (CF3+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°4.6kcal/molHPMSBennet and Field, 1972gas phase
Quantity Value Units Method Reference Comment
ΔrS°18.8cal/mol*KHPMSBennet and Field, 1972gas phase

Trifluoromethyl cation + Carbon monoxide = (Trifluoromethyl cation • Carbon monoxide)

By formula: CF3+ + CO = (CF3+ • CO)

Quantity Value Units Method Reference Comment
ΔrH°16.0kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°30.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

Trifluoromethyl cation + Methane = (Trifluoromethyl cation • Methane)

By formula: CF3+ + CH4 = (CF3+ • CH4)

Quantity Value Units Method Reference Comment
ΔrH°4.6kcal/molHPMSBennet and Field, 1972gas phase
Quantity Value Units Method Reference Comment
ΔrS°18.8cal/mol*KHPMSBennet and Field, 1972gas phase

Trifluoromethyl cation + Tetrafluoromethane = (Trifluoromethyl cation • Tetrafluoromethane)

By formula: CF3+ + CF4 = (CF3+ • CF4)

Quantity Value Units Method Reference Comment
ΔrH°6.6kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase
Quantity Value Units Method Reference Comment
ΔrS°19.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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: Marilyn E. Jacox

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1' 1 CF3 s-stretch 994 ± 16 gas TPE Dossmann (Soldi-Lose), Garcia, et al., 2012
a2 2 OPLA 809 ± 14 gas TPE Dossmann (Soldi-Lose), Garcia, et al., 2012
2 OPLA 798.1 Ne IR Forney, Jacox, et al., 1994
e' 3 CF stretch 1662.4 Ne IR Andrews, 1989
Forney, Jacox, et al., 1994
3 CF stretch 1667 Ar IR Prochaska and Andrews, 1978
Jacox, 1984
Halasinski, Godbout, et al., 1994

Additional references: Jacox, 1994, page 210; Jacox, 1998, page 258

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

Bennet and Field, 1972
Bennet, S.L.; Field, F.H., Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures, J. Am. Chem. Soc., 1972, 94, 18, 6305, https://doi.org/10.1021/ja00773a009 . [all data]

Dossmann (Soldi-Lose), Garcia, et al., 2012
Dossmann (Soldi-Lose), H.; Garcia, G.A.; Nahon, L.; de Miranda, B.K.C.; Alcaraz, C., Comprehensive vacuum ultraviolet photoionization study of the CF3• trifluoromethyl radical using synchrotron radiation, J. Chem. Phys., 2012, 136, 20, 204304, https://doi.org/10.1063/1.4719529 . [all data]

Forney, Jacox, et al., 1994
Forney, D.; Jacox, M.E.; Irikura, K.K., Matrix isolation study of the interaction of excited neon atoms with CF4. Infrared spectra of CF+3 and CF-3, J. Chem. Phys., 1994, 101, 10, 8290, https://doi.org/10.1063/1.468094 . [all data]

Andrews, 1989
Andrews, L., Chemistry and Physics of Matrix-Isolated Species, L. Andrews and M. Moskovits, Eds., Elsevier, Amsterdam, 1989. [all data]

Prochaska and Andrews, 1978
Prochaska, F.T.; Andrews, L., Matrix photoionization studies of trifluoromethyl halide systems. Infrared spectra of the CF3+, CF2X+, and CF3X+ cations in solid argon, J. Am. Chem. Soc., 1978, 100, 7, 2102, https://doi.org/10.1021/ja00475a021 . [all data]

Jacox, 1984
Jacox, M.E., Matrix-isolation study of the decomposition of CF3NNCF3 by photons and by excited rare-gas atom bombardment at energies between 4.9 and 16.8 eV, Chem. Phys., 1984, 83, 1-2, 171, https://doi.org/10.1016/0301-0104(84)85231-3 . [all data]

Halasinski, Godbout, et al., 1994
Halasinski, T.M.; Godbout, J.T.; Allison, J.; Leroi, G.E., Infrared Detection of Matrix-Isolated, Mass-Selected Ions, J. Phys. Chem., 1994, 98, 15, 3930, https://doi.org/10.1021/j100066a004 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References