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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)12.0 ± 0.2eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.40 ± 0.20NBIEDispert and Lacmann, 1978B

Ionization energy determinations

IE (eV) Method Reference Comment
12.26 ± 0.02PIKischlat and Morgner, 1985LBLHLM
11.87 ± 0.02PIWang and Leroi, 1983LBLHLM
11.75PIJochims, Lohr, et al., 1976LLK
11.75 ± 0.04PIAjello, Huntress, et al., 1976LLK
12.31 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.7 ± 0.5EIBaker and Tate, 1938RDSH
12.24 ± 0.01PEJadrny, Karlsson, et al., 1977Vertical value; LLK
12.3PEDoucet, Sauvageau, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.?EIZayats, Perov, et al., 1985LBLHLM
C+26.5 ± 1.0?EIBaker and Tate, 1938RDSH
CCl+14.8 ± 0.2FCl+F(-)PISchenk, Oertel, et al., 1979LLK
CCl+17.0 ± 0.5?EIBaker and Tate, 1938RDSH
CFCl+10.60 ± 0.02Cl(-)PISchenk, Oertel, et al., 1979LLK
CFCl+15.2 ± 0.3F(-)+ClPISchenk, Oertel, et al., 1979LLK
CFCl+11.99ClEIAjello, Huntress, et al., 1976LLK
CFCl+17.76F(-)+ClPIAjello, Huntress, et al., 1976LLK
CFCl+18.1 ± 0.2F(-)+ClEIBaker and Tate, 1938RDSH
CF2Cl+12.55ClEILeyland, Majer, et al., 1970RDSH
CF2Cl+12.8 ± 0.2ClEIBaker and Tate, 1938RDSH
CFCl2+12.07 ± 0.05F(-)PISchenk, Oertel, et al., 1979LLK
CFCl2+13.30 ± 0.05FPISchenk, Oertel, et al., 1979LLK
CFCl2+14.15FPIJochims, Lohr, et al., 1976LLK
CFCl2+13.81FPIAjello, Huntress, et al., 1976LLK
CFCl2+15.4 ± 0.2FEIBaker and Tate, 1938RDSH
CF+15.3 ± 0.3Cl2+F(-)PISchenk, Oertel, et al., 1979LLK
CF+17.65F+Cl2PIJochims, Lohr, et al., 1976LLK
CF+20.20F+2ClPIJochims, Lohr, et al., 1976LLK
CF+19.5 ± 0.5?EIBaker and Tate, 1938RDSH
CF2+14.9 ± 0.3Cl2PISchenk, Oertel, et al., 1979LLK
CF2+17.222ClPIJochims, Lohr, et al., 1976LLK
CF2+16.982ClPIAjello, Huntress, et al., 1976LLK
CF2+18.1 ± 0.2?N/ABaker and Tate, 1938RDSH
Cl+16.?EIZayats, Perov, et al., 1985LBLHLM
Cl+16.4 ± 0.2CFCl2(-)PISchenk, Oertel, et al., 1979LLK
Cl+21.0 ± 0.2?EIBaker and Tate, 1938RDSH
Cl2+15.4 ± 0.1CF2PISchenk, Oertel, et al., 1979LLK
Cl2+16.7 ± 1.0?EIBaker and Tate, 1938RDSH
F+21.?EIZayats, Perov, et al., 1985LBLHLM
F+25.6 ± 0.2CF(-)+2ClPISchenk, Oertel, et al., 1979LLK
F+31.5 ± 0.5?EIBaker and Tate, 1938RDSH
F2+16.0 ± 1.0?EIBaker and Tate, 1938RDSH


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.

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]

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]

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]

Baker and Tate, 1938
Baker, R.F.; Tate, J.T., Ionization and dissociation by electron impact in CCl2F2 and in CCl4 vapor, Phys. Rev., 1938, 53, 683. [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]

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]

Zayats, Perov, et al., 1985
Zayats, A.Yu.; Perov, A.A.; Simonov, A.P., Formation of long-lived Rydberg atoms upon excitation of NF3 and CF2Cl2 molecules by electron impact, Sov. J. Chem. Phys., 1985, 2, 1906. [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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