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Trichloromethyl radical

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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:
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
B - John E. Bartmess

View reactions leading to CCl3+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.109 ± 0.005eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.160 ± 0.096D-EAPaulino and Squires, 1991B
2.19 ± 0.27D-EABohme, Lee-Ruff, et al., 1972> acetone, <= C5H6; value altered from reference due to change in acidity scale; B
>1.89068EIAEIllenberger, Baumgartel, et al., 1979From CFCl3; B
>2.10 ± 0.35EIAECurran, 1961From CFCl3; B
2.58 ± 0.20EIAEScheunemann, Illenberger, et al., 1980From CCl4; B
1.30 ± 0.30NBAEDispert and Lacmann, 1978From CHCl3, CCl4; B
1.435 ± 0.050SIGaines, Kay, et al., 1966The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.06 ± 0.02PERobles and Chen, 1994LL
8.109 ± 0.005LSHudgens, Johnson, et al., 1991LL
8.7 ± 0.1EIKime, Driscoll, et al., 1987LBLHLM
8.28EILossing, 1972LLK
8.78 ± 0.05EIFarmer, Henderson, 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.

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]

Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B., Acidity order of selected bronsted acids in the gas phase at 300K, J. Am. Chem. Soc., 1972, 94, 5153. [all data]

Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H., Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons, Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8 . [all data]

Curran, 1961
Curran, R.K., Positive and Negative Ion Formation in CCl3F, J. Chem. Phys., 1961, 34, 3, 1069, https://doi.org/10.1063/1.1731647 . [all data]

Scheunemann, Illenberger, et al., 1980
Scheunemann, H.U.; Illenberger, E.; Baumgartel, H., Dissociative electron attachment to CCl4, CHCl3, CH2Cl2, and CH3Cl, Ber. Bunsen-Ges. Phys. Chem., 1980, 84, 580. [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]

Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M., Determination of Electron Affinities. Part 8. - CCl4, CHCl3, and CH2Cl2, Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874 . [all data]

Robles and Chen, 1994
Robles, E.S.J.; Chen, P., An ab initio and photoelectron spectroscopic study of the trichloromethyl radical and cation, J. Phys. Chem., 1994, 98, 6919. [all data]

Hudgens, Johnson, et al., 1991
Hudgens, J.W.; Johnson, R.D.; Timonen, S.; Seetula, J.A.; Seetula, J.A.; Gutman, D., Kinetics of the reaction Br2 + CCl3, and the thermochemistry of the CCl3 radical and cation, J. Phys. Chem., 1991, 95, 4400. [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]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H., Free radicals by mass spectrometry. IX. Ionization potentials of CF3 and CCl3 radicals and bond dissociation energies in some derivatives, J. Chem. Phys., 1956, 24, 348. [all data]


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