Trifluoromethyl radical

• Formula: CF₃
• Molecular weight: 69.0059
• IUPAC Standard InChI: InChI=1S/CF3/c2-1(3)4 Copy

  
• IUPAC Standard InChIKey: WZKSXHQDXQKIQJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 2264-21-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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Gas phase ion energetics data

Go To: Top, 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CF₃⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Anion protonation reactions

CF₃^- +  =

By formula: CF₃^- + H⁺ = CHF₃

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Deyerl, Alconcel, et al., 2001
Deyerl, H.J.; Alconcel, L.S.; Continetti, R.E., Photodetachment imaging studies of the electron affinity of CF3, J. Phys. Chem. A, 2001, 105, 3, 552-557, https://doi.org/10.1021/jp003137k . [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Richardson, Stephenson, et al., 1975
Richardson, J.H.; Stephenson, L.M.; Brauman, J.I., Photodetachment of electrons from trifluoromethyl and trifluorosilyl ions the electron affinities of CF₃ and SiF₃, Chem. Phys. Lett., 1975, 30, 17. [all data]

Wang, Margrave, et al., 1973
Wang, J.L.-F.; Margrave, J.L.; Franklin, J.L., Interpretation of dissociative electron attachment processes for carbon and silicon tetrafluorides, J. Chem. Phys., 1973, 58, 5417. [all data]

Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G., Ionisation and dissociation of carbonyl fluoride and trifluoromethyl hypofluorite by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 95. [all data]

Lifshitz and Grajower, 1969
Lifshitz, C.; Grajower, R., Dissociative electron capture and dissociative ionization in perfluoropropane, Intern. J. Mass Spectrom. Ion Phys., 1969, 3, 211. [all data]

Spyrou, Sauers, et al., 1983
Spyrou, S.M.; Sauers, I.; Christophorou, L.G., Electron attachment to the perfluoroalkanes n-CnF₂n⁺₂ (n = 1-6) and i-C₄F₁₀, J. Chem. Phys., 1983, 78, 7200. [all data]

Franklin, Wang, et al., 1974
Franklin, J.L.; Wang, J.L.-F.; Bennett, S.L.; Harland, P.W.; Margrave, J.L., Studies of the energies of negative ions at high temperatures, Adv. Mass Spectrom., 1974, 6, 319. [all data]

Harland and Franklin, 1974
Harland, P.W.; Franklin, J.L., Partitioning of excess energy in dissociative resonance capture processes, J. Chem. Phys., 1974, 61, 1621. [all data]

Lifshitz and Grajower, 1972
Lifshitz, C.; Grajower, R., Dissociative electron capture and dissociative ionization in perfluorocyclobutane, Int. J. Mass Spectrom. Ion Phys., 1972, 10, 25. [all data]

Harland and Thynne, 1970
Harland, P.; Thynne, J.C.J., Positive and negative ion formation in hexafluoroacetone by electron impact, J. Phys. Chem., 1970, 74, 52. [all data]

MacNeil and Thynne, 1970
MacNeil, K.A.G.; Thynne, J.C.J., The Formation of Negative Ions by Electron Impact on Silicon Tetrafluoride and Carbon Tetrafluoride, Int. J. Mass Spectrom. Ion Phys., 1970, 3, 6, 455, https://doi.org/10.1016/0020-7381(70)80004-3 . [all data]

Thynne and MacNeil, 1970, 2
Thynne, J.C.J.; MacNeil, K.A.G., Ionisation of Tetrafluoroethylene by Electron Impact, Int. J. Mass Spectrom. Ion Phys., 1970, 5, 3-4, 329, https://doi.org/10.1016/0020-7381(70)80026-2 . [all data]

MacNeil and Thynne, 1969
MacNeil, K.A.G.; Thynne, J.C.J., Ionization and Dissociation of Hexafluoroethane, and of 1,1,1-Trifluoroethane and Fluoroform, by Electron Impact, Int. J. Mass Spectrom. Ion Phys., 1969, 2, 1, 1, https://doi.org/10.1016/0020-7381(69)80001-X . [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]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Tsuji, Aizawa, et al., 1995
Tsuji, M.; Aizawa, M.; Nishimura, Y., Mass spectroscopic studies on ion-molecule reactions of CF₃⁺ with benzene and toluene at near-thermal energy, Chem. Lett., 1995, 3, 211. [all data]

Goto, Nakamura, et al., 1994
Goto, M.; Nakamura, K.; Toyoda, H.; Sugai, H., Cross section measurements for electron-impact dissociation of CHF₃ into neutral and ionic fragments, Jpn. J. Appl. Phys. Part 1, 1994, 33, 3602. [all data]

Tarnovsky and Becker, 1993
Tarnovsky, V.; Becker, K., Absolute partial cross sections for the parent ionization of the CF_x (x = 1-3) free radicals by electron impact, J. Chem. Phys., 1993, 98, 7868. [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]

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]

Loguinov, Takhistov, et al., 1981
Loguinov, Y.; Takhistov, V.V.; Vatlina, L.P., Photoionization studies of substituted trimethylamines, Org. Mass Spectrom., 1981, 16, 239. [all data]

Berman, Beauchamp, et al., 1981
Berman, D.W.; Beauchamp, J.L.; Thorne, L.R., Ion cyclotron resonance and photoionization investigations of the thermochemistry and reactions of ions derived from CF₃I, Int. J. Mass Spectrom. Ion Phys., 1981, 39, 47. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Syrvatka, Gil'burd, et al., 1973
Syrvatka, B.G.; Gil'burd, M.M.; Bel'ferman, A.L., Ion-dissociative processes of some halogen containing butadienes and particles structure, Zh. Org. Khim., 1973, 9, 1117. [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]

Ehlert, 1969
Ehlert, T.C., Bonding in C₁ and C₂ fluorides, J. Phys. Chem., 1969, 73, 949. [all data]

Lifshitz and Chupka, 1967
Lifshitz, C.; Chupka, W.A., Photoionization of the CF₃ free radical, J. Chem. Phys., 1967, 47, 3439. [all data]

Tarnovsky, Kurunczi, et al., 1993
Tarnovsky, V.; Kurunczi, P.; Rogozhnikov, D.; Becker, K., Absolute cross sections for the dissociative electron impact ionization of the CFx (x=1-3) free radicals, Int. J. Mass Spectrom. Ion Processes, 1993, 128, 181. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R., Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2, J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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