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Chloromethyl 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 CH2Cl+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.74 ± 0.16D-EAIngemann and Nibbering, 1985B

Ionization energy determinations

IE (eV) Method Reference Comment
8.75 ± 0.01PEAndrews, Dyke, et al., 1984LBLHLM
8.80EILossing, 1972LLK
9.32EILossing, Kebarle, et al., 1959RDSH
9.70 ± 0.09EIReed and Snedden, 1956RDSH
8.87 ± 0.01PEAndrews, Dyke, et al., 1984Vertical value; LBLHLM

Vibrational and/or electronic energy levels

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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 by: Marilyn E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 CH2 s-stretch 3055.08 gas IR Whitney, Haeber, et al., 2006
2 CH2 scissors 1391 w m Ar IR Andrews and Smith, 1970
Fridgen, Zhang, et al., 2000
3 CCl stretch 827 s Ar IR Jacox and Milligan, 1970
Andrews and Smith, 1970
Fridgen, Zhang, et al., 2000
3 CCl stretch 827 Kr IR Fridgen, Zhang, et al., 2000
3 CCl stretch 829 Xe IR Fridgen, Zhang, et al., 2000
b1 4 OPLA 402 s Ar IR Jacox and Milligan, 1970
Andrews and Smith, 1970
Fridgen, Zhang, et al., 2000
4 OPLA 395 Kr IR Fridgen, Zhang, et al., 2000
4 OPLA 389 Xe IR Fridgen, Zhang, et al., 2000

Additional references: Jacox, 1994, page 149; Jacox, 1998, page 228; Jacox, 2003, page 176; Michaut and Roncin, 1971; Endo, Saito, et al., 1984; Sears, Temps, et al., 1994; Bailleux, Drean, et al., 2005

Notes

wWeak
mMedium
sStrong

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M., Gas-phase acidity of CH3X [X = P(CH3)2, SCH3, F, Cl, Br, I] compounds, J. Chem. Soc. Perkin Trans. 2, 1985, 837. [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]

Whitney, Haeber, et al., 2006
Whitney, E.S.; Haeber, T.; Schuder, M.D.; Blair, A.C.; Nesbitt, D.J., High-resolution infrared studies in slit supersonic discharges: CH[sub 2] stretch excitation of jet-cooled CH[sub 2]Cl radical, J. Chem. Phys., 2006, 125, 5, 054303, https://doi.org/10.1063/1.2208612 . [all data]

Andrews and Smith, 1970
Andrews, L.; Smith, D.W., Matrix Infrared Spectrum and Bonding in the Monochloromethyl Radical, J. Chem. Phys., 1970, 53, 7, 2956, https://doi.org/10.1063/1.1674422 . [all data]

Fridgen, Zhang, et al., 2000
Fridgen, T.D.; Zhang, X.K.; Parnis, J.M.; March, R.E., Isomerization and Fragmentation Products of CH, J. Phys. Chem. A, 2000, 104, 16, 3487, https://doi.org/10.1021/jp993162u . [all data]

Jacox and Milligan, 1970
Jacox, M.E.; Milligan, D.E., Matrix-Isolation Study of the Vacuum-Ultraviolet Photolysis of Methyl Chloride and Methylene Chloride. Infrared and Ultraviolet Spectra of the Free Radicals CCl, H2CCl, and CCl2, J. Chem. Phys., 1970, 53, 7, 2688, https://doi.org/10.1063/1.1674392 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Michaut and Roncin, 1971
Michaut, J.P.; Roncin, J., ESR study of the CH2Cl radical in a single crystal of CH3Cl, Chem. Phys. Lett., 1971, 12, 1, 95, https://doi.org/10.1016/0009-2614(71)80624-3 . [all data]

Endo, Saito, et al., 1984
Endo, Y.; Saito, S.; Hirota, E., The microwave spectrum of the chloromethyl radical, CH, Can. J. Phys., 1984, 62, 12, 1347, https://doi.org/10.1139/p84-182 . [all data]

Sears, Temps, et al., 1994
Sears, T.J.; Temps, F.; Wagner, H.G.; Wolf, M., Far-Infrared Laser Magnetic Resonance Spectroscopy of CH2Cl (X2B1), J. Mol. Spectrosc., 1994, 168, 1, 136, https://doi.org/10.1006/jmsp.1994.1266 . [all data]

Bailleux, Drean, et al., 2005
Bailleux, S.; Drean, P.; Zelinger, Z.; Godon, M., The submillimeter-wave spectrum of the chloromethyl radical, CH2Cl, in the ground vibronic state, J. Mol. Spectrosc., 2005, 229, 1, 140, https://doi.org/10.1016/j.jms.2004.08.008 . [all data]


Notes

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