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Raman intensities of charge transfer complexes of benzene and halogen molecules
Author(s) -
Abe H.,
Ito M.
Publication year - 1978
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250070113
Subject(s) - raman spectroscopy , benzene , chemistry , molecule , halogen , excited state , crystal (programming language) , photochemistry , crystallography , atomic physics , organic chemistry , optics , alkyl , physics , computer science , programming language
The Raman spectra of solid complexes formed between halogens as electron donors and benzene and methylated benzenes as electron acceptors were measured at 77 K. Great increase in intensity was observed for the Raman lines ν 10 ( e 1 g ), ν 16 ( e 2 u ) and ν 17 ( e 2 u ) of benzene on complex formation. The great intensity enhancement of these out‐of‐plane bending modes is reasonably explained as the result of mixing of the 1 A 2 u (σπ*) state of benzene and the charge transfer state. The observed spectra are consistent with the crystal structure of factor group C 3ν , having one halogen molecule and one benzene molecule in a unit cell, which was proposed by Person et al. from the infrared spectra. It was found that the Raman spectra of the complexes provide a good test for the Raman intensity mechanism proposed for benzene and also give important information about electronic excited states which are not identifiable by other means.