A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy

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Date
2010
Authors
Kato, Hisaaki
Masui, Hisashi
Hoshino, Masahiro
Cho, Hyuck
Ingolfsson, Oddur
Brunger, Michael James
Limao-Vieira, Paulo
Tanaka, Hiroshi
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Publisher
American Institute of Physics
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Abstract
Excitation of the A-band low-lying electronic states in the methyl halides, CH3I, CH3Br, CH3Cl, and CH3F, has been investigated for the (n→σ∗) transitions, using electron energy loss spectroscopy (EELS) in the range of 3.5–7.5 eV. For the methyl halides, CH3I, CH3Br, and CH3Cl, three components of the Q complex (3Q1, 3Q0, and 1Q1) were directly observed, with the exception of methyl fluoride, in the optically forbidden EELS experimental conditions of this investigation. The effect of electronic-state curve crossing emerged in the transition probabilities for the 3Q0 and 1Q1 states, with spin-orbit splitting observed and quantified against results from recent ab initio studies.
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Keywords
Physics, Electron energy loss spectra, Organic compounds
Citation
Kato, H., Masui, H., Hoshino, M., Cho, H., Ingolfsson, O., Brunger, M.J., Limao-Vieira, P. and Tanaka, H., 2010. A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy. Journal of Chemical Physics, 133, 054304.