Bromomethyl radical

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

View reactions leading to CH2Br+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.79 ± 0.14D-EAHierl, Henchman, et al., 1992HO- + MeBr:6.0±2.3 kcal/mol endo. "Better than Ingemann and Nibbering, 19852" 2.0 kcal would not show barrier; B
0.97 ± 0.16D-EAIngemann and Nibbering, 1985, 2B
1.93838SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.61 ± 0.01PIMa, Liao, et al., 1993LL
8.61 ± 0.01PEAndrews, Dyke, et al., 1984LBLHLM
9.30EILossing, Kebarle, et al., 1959RDSH
8.34 ± 0.11EIReed and Snedden, 1956RDSH
8.72 ± 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
CH2 scissor 1355.7 s Ar IR Smith and Andrews, 1971
Andrews, Miller, et al., 1979
CH2 rock 953 w Ar IR Smith and Andrews, 1971
CBr stretch 693.4 s Ar IR Smith and Andrews, 1971
Andrews, Miller, et al., 1979
Umbrella 368 vs Ar IR Smith and Andrews, 1971
Andrews, Miller, et al., 1979

Additional references: Jacox, 1994, page 150; Jacox, 1998, page 228; Davies, Liu, et al., 1993; Bailleux, Drean, et al., 2004; Bailleux, Drean, et al., 2005; Ozeki, Okabayashi, et al., 2007

Notes

wWeak
sStrong
vsVery strong

References

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

Hierl, Henchman, et al., 1992
Hierl, P.M.; Henchman, M.J.; Paulson, J.F., Threshold Energies for the Reactions HO- + MeX - MeOH + X- measured by Tandem Mass Spectrometry: Acidities of MeCl and MeBr, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 475, https://doi.org/10.1016/0168-1176(92)80109-E . [all data]

Ingemann and Nibbering, 1985
Ingemann, S.; Nibbering, N.M.M., Gas phase chemistry of alpha-thio carbanions, Can. J. Chem., 1985, 62, 2273. [all data]

Ingemann and Nibbering, 1985, 2
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]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Ma, Liao, et al., 1993
Ma, Z.-X.; Liao, C.-L.; Ng, C.Y.; Ma, N.G.; Li, W.-K., Adiabatic ionization energy and electron affinity of CH2Br, J. Chem. Phys., 1993, 99, 6470. [all data]

Andrews, Dyke, et al., 1984
Andrews, L.; Dyke, J.M.; Jonathan, N.; Keddar, N.; orris, A., The first bands in the photoelectron spectra of the CH2Br, CD2Br, CHBr2, and CH2I free radicals, J. Phys. Chem., 1984, 88, 1950. [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]

Smith and Andrews, 1971
Smith, D.W.; Andrews, L., Matrix Infrared Spectrum and Bonding in the Monobromomethyl Radical, J. Chem. Phys., 1971, 55, 11, 5295, https://doi.org/10.1063/1.1675671 . [all data]

Andrews, Miller, et al., 1979
Andrews, L.; Miller, J.H.; Prochaska, E.S., Matrix photoionization of methyl halides. Ultraviolet spectra of the parent cations and infrared evidence for intramolecular hydrogen-bonded parent anions in solid argon, J. Am. Chem. Soc., 1979, 101, 24, 7158, https://doi.org/10.1021/ja00518a005 . [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]

Davies, Liu, et al., 1993
Davies, P.B.; Liu, Y.; Liu, Z., Far infrared LMR spectra of monobromomethyl radicals, Chem. Phys. Lett., 1993, 214, 3-4, 305, https://doi.org/10.1016/0009-2614(93)85640-A . [all data]

Bailleux, Drean, et al., 2004
Bailleux, S.; Drean, P.; Godon, M.; Zelinger, Z.; Duan, C., First observation of the rotational spectrum of the bromomethyl radical, CH2Br, Phys. Chem. Chem. Phys., 2004, 6, 12, 3049, https://doi.org/10.1039/b405115g . [all data]

Bailleux, Drean, et al., 2005
Bailleux, S.; Drean, P.; Zellinger, Z.; Civis, S.; Ozeki, H.; Saito, S., Millimeter wave spectrum of bromomethyl radical, CH[sub 2]Br, J. Chem. Phys., 2005, 122, 13, 134302, https://doi.org/10.1063/1.1862619 . [all data]

Ozeki, Okabayashi, et al., 2007
Ozeki, H.; Okabayashi, T.; Tanimoto, M.; Saito, S.; Bailleux, S., Hyperfine resolved spectrum of the bromomethyl radical, CH[sub 2]Br, by Fourier transform microwave spectroscopy, J. Chem. Phys., 2007, 127, 22, 224301, https://doi.org/10.1063/1.2805187 . [all data]

Notes

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