Methane, tribromo-

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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:
B - John E. Bartmess
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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)10.50 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.5PEVon Niessen, Asbrink, et al., 1982LBLHLM
10.7 ± 0.3EIKaposi, Riedel, et al., 1976LLK
10.48 ± 0.02PITsai, Baer, et al., 1975LLK
10.51 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
10.47PENicholson and Rademacher, 1974Vertical value; LLK
10.47PEDixon, Murrell, et al., 1971Vertical value; LLK
10.47PEPotts, Lempka, et al., 1970Vertical value; RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+15.4 ± 0.4CHBr2EIKaposi, Riedel, et al., 1976LLK
HBr+14.7 ± 0.3CBr2EIKaposi, Riedel, et al., 1976LLK
Br2+15.1 ± 0.3CHBrEIKaposi, Riedel, et al., 1976LLK
C+23.6 ± 0.5H+3BrEIKaposi, Riedel, et al., 1976LLK
C+23.55 ± 0.05?EIReed and Snedden, 1956RDSH
CBr+16.2 ± 0.4HBr+BrEIKaposi, Riedel, et al., 1976LLK
CBr2+13.7 ± 0.2HBrEIKaposi, Riedel, et al., 1976LLK
CBr3+13.0 ± 0.3HEIKaposi, Riedel, et al., 1976LLK
CH+20.5 ± 0.53BrEIKaposi, Riedel, et al., 1976LLK
CH+21.70 ± 0.05?EIReed and Snedden, 1956RDSH
CHBr+17.4 ± 0.42BrEIKaposi, Riedel, et al., 1976LLK
CHBr2+10.53BrEIHolmes, Lossing, et al., 1988LL
CHBr2+10.70 ± 0.02BrPITsai, Baer, et al., 1975LLK
CHBr2+10.80 ± 0.01BrEIReed and Snedden, 1956RDSH

De-protonation reactions

CBr3- + Hydrogen cation = Methane, tribromo-

By formula: CBr3- + H+ = CHBr3

Quantity Value Units Method Reference Comment
Δr349.7 ± 2.2kcal/molG+TSBorn, Ingemann, et al., 2000gas phase; B
Quantity Value Units Method Reference Comment
Δr342.0 ± 2.0kcal/molIMREBorn, Ingemann, et al., 2000gas phase; B


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.

Von Niessen, Asbrink, et al., 1982
Von Niessen, W.; Asbrink, L.; Bieri, G., 30.4 nm He(II) Photoelectron spectra of organic molecules. Part VI. Halogeno-compounds (C,H,X: X = Cl, Br, I), J. Electron Spectrosc. Relat. Phenom., 1982, 26, 173. [all data]

Kaposi, Riedel, et al., 1976
Kaposi, O.; Riedel, M.; Vass-Balthazar, K.; Sanchez, G.R.; Lelik, L., Mass-spectrometric determination of thermochemical data of CHBr3 and CBr4 by study of their electron impact and heterogeneous pyrolytic decompositions, Acta Chim. Acad. Sci. Hung., 1976, 89, 221. [all data]

Tsai, Baer, et al., 1975
Tsai, B.P.; Baer, T.; Werner, A.S.; Lin, S.F., A photoelectron-photoion coincidence study of the ionization and fragment appearance potentials of bromo- and iodomethanes, J. Phys. Chem., 1975, 79, 570. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P., Photoelectron spectra and electronic structures of antimony(III) halides, Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [all data]

Dixon, Murrell, et al., 1971
Dixon, R.N.; Murrell, J.N.; Narayan, B., The photoelectron spectra of the halomethanes, Mol. Phys., 1971, 20, 611. [all data]

Potts, Lempka, et al., 1970
Potts, A.W.; Lempka, H.J.; Streets, D.G.; Price, W.C., Photoelectron spectra of the halides of elements in groups III, IV, V and VI, Phil. Trans. Roy. Soc. (London), 1970, A268, 59. [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]

Holmes, Lossing, et al., 1988
Holmes, J.L.; Lossing, F.P.; McFarlane, R.A., Stabilization energy and positional effects in halogen-substituted alkyl ions., Int. J. Mass Spectrom. Ion Phys., 1988, 86, 209. [all data]

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, . [all data]


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