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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:
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)11.68 ± 0.13eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
<1.01572IMRBStaneke, Groothuis, et al., 1995Chloride transfer to MeSH observed.; B
1.10 ± 0.30NBIEDispert and Lacmann, 1978B

Ionization energy determinations

IE (eV) Method Reference Comment
11.73 ± 0.02PIKischlat and Morgner, 1985LBLHLM
11.46 ± 0.02PIWang and Leroi, 1983LBLHLM
11.77 ± 0.01PEChau and McDowell, 1975LLK
11.77 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
11.76 ± 0.01PEJadrny, Karlsson, et al., 1977Vertical value; LLK
11.85PEJochims, Lohr, et al., 1976Vertical value; LLK
11.9PEDoucet, Sauvageau, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CCl+20.0 ± 0.22Cl+FPISchenk, Oertel, et al., 1979LLK
CCl+20.52Cl+FPIJochims, Lohr, et al., 1976LLK
CFCl+15.95 ± 0.05Cl2PISchenk, Oertel, et al., 1979LLK
CFCl+16.0Cl2PIJochims, Lohr, et al., 1976LLK
CFCl+16.02 ± 0.04Cl2PIAjello, Huntress, et al., 1976LLK
CFCl+17.1 ± 0.12ClEISyrvatka, Bel'ferman, et al., 1971LLK
CFCl+17.41 ± 0.15?EICurran, 1961RDSH
CCl2+17.0FClPIJochims, Lohr, et al., 1976LLK
CCl2+17.12 ± 0.04Cl+FPIAjello, Huntress, et al., 1976LLK
CFCl2+11.65ClPIJochims, Lohr, et al., 1976LLK
CFCl2+11.57 ± 0.04ClPIAjello, Huntress, et al., 1976LLK
CFCl2+11.97 ± 0.07ClEICurran, 1961RDSH
CCl3+13.50FPIJochims, Lohr, et al., 1976LLK
CCl3+13.25 ± 0.04FPIAjello, Huntress, et al., 1976LLK
CCl3+12.77 ± 0.15FEICurran, 1961RDSH
CF+15.61 ± 0.053ClPISchenk, Oertel, et al., 1979LLK
CF+15.7Cl2+ClPIJochims, Lohr, et al., 1976LLK
CF+18.353ClPIJochims, Lohr, et al., 1976LLK
Cl+13.7 ± 0.5F(-)+CCl2PISchenk, Oertel, et al., 1979LLK
Cl+15.2 ± 0.1F(-)+CCl2PISchenk, Oertel, et al., 1979LLK
Cl+15.6 ± 0.1Cl(-)+CFClPISchenk, Oertel, et al., 1979LLK


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.

Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M., Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase, Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, . [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]

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]

Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A., Photoelectron spectra of fluorotribromomethane and fluorotrichloromethane, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 357. [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]

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]

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]

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]

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]

Syrvatka, Bel'ferman, et al., 1971
Syrvatka, B.G.; Bel'ferman, A.L.; Gil'burd, M.M.; Moin, F.B., Determination of the dissociation energy of the double bond in some fluorochloro-substituted ethylenes and their ions by electron bombardment, J. Org. Chem. USSR, 1971, 7, 8, In original 9. [all data]

Curran, 1961
Curran, R.K., Positive and negative ion formation in CCl3F, J. Chem. Phys., 1961, 34, 2007. [all data]


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