Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Bromomethyl radical


Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, References, Notes

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

Go To: Top, Gas phase ion energetics data, NIST Free Links, References, Notes

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

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.

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

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