Dichloromethyl 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 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

View reactions leading to CHCl2+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.52 ± 0.11D-EABorn, Ingemann, et al., 2000D-EA from this reference yields BDE = 96.0±3.2 kcal/mol; B
1.472 ± 0.043IMRBBorn, Ingemann, et al., 2000B
1.30 ± 0.20LPESVogelhuber, Wren, et al., 2011very poor Franck-Condon overlap; "estimate; B
1.57 ± 0.14D-EABohme, Lee-Ruff, et al., 1972Comparable to DMSO; value altered from reference due to change in acidity scale; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.32 ± 0.01PEAndrews, Dyke, et al., 1984LBLHLM
8.45EILossing, 1972LLK
9.30EILossing, Kebarle, et al., 1959RDSH
9.54 ± 0.10EIReed and Snedden, 1956RDSH
8.54 ± 0.01PEAndrews, Dyke, et al., 1984Vertical value; LBLHLM


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

Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M., Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase, Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6 . [all data]

Vogelhuber, Wren, et al., 2011
Vogelhuber, K.M.; Wren, S.W.; McCoy, A.B.; Ervin, K.M.; Lineberger, W.C., Photoelectron spectra of dihalomethyl anions: Testing the limits of normal mode analysis, J. Chem. Phys., 2011, 134, 18, 184306, https://doi.org/10.1063/1.3585606 . [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]

Andrews, Dyke, et al., 1984
Andrews, L.; Dyke, J.M.; Jonathan, N.; Keddar, N.; Morris, A., Photoelectron spectroscopic study of the ground states of CH2Cl+, CHCl2+, and CHFCl+, J. Am. Chem. Soc., 1984, 106, 299. [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]

Lossing, Kebarle, et al., 1959
Lossing, F.P.; Kebarle, P.; DeSousa, J.B., Ionization potentials of alkyl and halogenated alkyl free radicals, 1959. [all data]

Reed and Snedden, 1956
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions, J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]


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