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Vibrational and Vibronic Structure in the Valence Electron Spectra of CH3X Molecules (X=F, Cl, Br, I, OH)

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Published under licence by IOP Publishing Ltd
, , Citation Leif Karlsson et al 1977 Phys. Scr. 16 225 DOI 10.1088/0031-8949/16/5-6/010

1402-4896/16/5-6/225

Abstract

Valence electron spectra of the methyl halides and of methyl alcohol have been induced by means of the HeI resonance radiation at 21.22 eV. A large number of new vibrational bands are reported. The observation of these was facilitated by a high instrumental resolving power and fast data acquisition. In most cases the new bands are observed in 1A12E transitions but also the electron band of the 1A12A1 transition of CH3I exhibits extensive progressions of closely spaced vibrational bands not previously reported. The vibrational structure of the 1A12E transitions is affected by vibronic coupling. The structure of the 2e electron band of CH3Cl probably reflects the operation of the Ham effect. Calculations of the band structure including spin-orbit coupling are performed according to a model which is briefly described.

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10.1088/0031-8949/16/5-6/010