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Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
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

Quantity Value Units Method Reference Comment
IE (evaluated)12.6 ± 0.4eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)571.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity541.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
13. ± 1.PIZhang, Cooper, et al., 1991LL
13.08 ± 0.02PIKischlat and Morgner, 1985LBLHLM
12.60 ± 0.02PIWang and Leroi, 1983LBLHLM
12.45PIJochims, Lohr, et al., 1976LLK
12.39PIAjello, Huntress, et al., 1976LLK
12.39PINoutary, 1968RDSH
12.91 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
13.08 ± 0.01PEJadrny, Karlsson, et al., 1977Vertical value; LLK
13.10PEUehara, Saito, et al., 1973Vertical value; LLK
13.0PEDoucet, Sauvageau, et al., 1973Vertical value; LLK
13.08 ± 0.02PECradock, Ebsworth, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+33. ± 1.3F+ClPIZhang, Cooper, et al., 1991LL
C+31. ± 1.?EIDibeler, Reese, et al., 1956RDSH
CCl+28. ± 1.?PIZhang, Cooper, et al., 1991LL
CFCl+15. ± 1.?PIZhang, Cooper, et al., 1991LL
CFCl+14.0 ± 0.3FPIPowis, 1980LLK
CFCl+19.8 ± 0.2F2PISchenk, Oertel, et al., 1979LLK
CFCl+14.25FPIJochims, Lohr, et al., 1976LLK
CF2Cl+15. ± 1.FPIZhang, Cooper, et al., 1991LL
CF2Cl+16.15FEILeyland, Majer, et al., 1970RDSH
CF2Cl+15.0 ± 0.4FEIDibeler, Reese, et al., 1956RDSH
CF+24. ± 1.2F+ClPIZhang, Cooper, et al., 1991LL
CF+20.3 ± 0.1Cl+F2PISchenk, Oertel, et al., 1979LLK
CF+22.6 ± 0.5?EIDibeler, Reese, et al., 1956RDSH
CF2+19. ± 1.F+ClPIZhang, Cooper, et al., 1991LL
CF2+16.0 ± 0.1F+Cl(-)PISchenk, Oertel, et al., 1979LLK
CF2+18.85 ± 0.05F+ClPISchenk, Oertel, et al., 1979LLK
CF2+15.9 ± 0.3F(-)+ClPISchenk, Oertel, et al., 1979LLK
CF2+18.85F+ClPIJochims, Lohr, et al., 1976LLK
CF2+18.84F+ClPIAjello, Huntress, et al., 1976LLK
CF2+20. ± 1.?EIDibeler, Reese, et al., 1956RDSH
CF3+13. ± 1.ClPIZhang, Cooper, et al., 1991LL
CF3+12.55ClPIJochims, Lohr, et al., 1976LLK
CF3+12.65ClPIAjello, Huntress, et al., 1976LLK
CF3+12.63ClPINoutary, 1968RDSH
Cl+20. ± 1.CF2+FPIZhang, Cooper, et al., 1991LL
Cl+19.7 ± 0.1CF3PISchenk, Oertel, et al., 1979LLK
Cl+21. ± 1.?EIDibeler, Reese, et al., 1956RDSH
F+34. ± 1.C+F2+ClPIZhang, Cooper, et al., 1991LL
F+31. ± 1.?EIDibeler, Reese, et al., 1956RDSH


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.

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, . [all data]

Zhang, Cooper, et al., 1991
Zhang, W.; Cooper, G.; Ibuki, T.; Brion, C.E., Excitation and ionization of freon molecules. II. Absolute oscillator strengths for the photoabsorption (7.5-200 eV) and the ionic photofragmentation (12.5-80 eV) of CF3Cl, Chem. Phys., 1991, 151, 343. [all data]

Kischlat and Morgner, 1985
Kischlat, W.; Morgner, H., Comparative study of He(23S)-penning ionization and He(I) photoionization of CF4, CCl4, and the chlorofluoromethanes by electron-ion coincidence, J. Electron Spectrosc. Relat. Phenom., 1985, 35, 273. [all data]

Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E., Photoionization and fragmentation of halogenated methanes, Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]

Jochims, Lohr, et al., 1976
Jochims, H.-W.; Lohr, W.; Baumgartel, H., Photoreactions of small organic molecules V. Absorption-, photoion- and resonancephotoelectron-spectra of CF3Cl, CF2Cl2, CFCl3 in the energy range 10-25 eV, Ber. Bunsen-Ges. Phys. Chem., 1976, 80, 130. [all data]

Ajello, Huntress, et al., 1976
Ajello, J.M.; Huntress, W.T., Jr.; Rayermann, P., A photoionization mass spectrometer study of CFCl3, CF2Cl2 and CF3Cl, J. Chem. Phys., 1976, 64, 4746. [all data]

Noutary, 1968
Noutary, C.J., Mass spectrometric study of some fluorocarbons and trifluoromethyl halides, J.Res. NBS, 1968, 72A, 479. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Jadrny, Karlsson, et al., 1977
Jadrny, R.; Karlsson, L.; Mattsson, L.; Siegbahn, K., Valence electron spectra of the chlorofluoromethanes CF3Cl, CF2Cl2 and CFCl3, Phys. Scr., 1977, 16, 235. [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]

Doucet, Sauvageau, et al., 1973
Doucet, J.; Sauvageau, P.; Sandorfy, C., Vacuum ultraviolet and photoelectron spectra of fluoro-chloro derivatives of methane, J. Chem. Phys., 1973, 58, 3708. [all data]

Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A., Photoelectron spectra of some simple fluorosilanes, J. Chem. Soc. Dalton Trans., 1973, 22, 2401. [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]

Powis, 1980
Powis, I., The dissociation of state-selected CF3X+ molecular ions, Mol. Phys., 1980, 39, 311. [all data]

Schenk, Oertel, et al., 1979
Schenk, H.; Oertel, H.; Baumgartel, H., Photoreactions of small organic molecules VII Photoionization studies on the ion-pair formation of the fluorochloromethanes CF2Cl2, CF3Cl, and CFCl3, Ber. Bunsen-Ges. Phys. Chem., 1979, 83, 683. [all data]

Leyland, Majer, et al., 1970
Leyland, L.M.; Majer, J.R.; Robb, J.C., Heat of formation of the CF2Cl. radical, J. Chem. Soc. Faraday Trans., 1970, 66, 898. [all data]


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