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Application of the dimer approach for the analysis of vibrational spectra of BEDT—TTF-based charge-transfer salts

✍ Scribed by M.E. Kozlov; M. Tokumoto

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
836 KB
Volume
50
Category
Article
ISSN
1386-1425

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✦ Synopsis

The dimer approach was proposed for the normal coordinate analysis of BEDT-TTF+ molecular vibrations. It was shown that, within the framework of the approximation used, the appearance of additional bands in the IR as well as in Raman spectra may be explained as due to the reduction of symmetry of the dimerized system in comparison with the monomeric one. The strength of intermolecular interaction in the dimer was estimated by adjusting the calculated frequencies to the observed positions of intense "vibronic" bands recorded in the IR spectra of BEDT-m-based monovalent charge transfer salts. It was found that for the reproduction of "vibronic shifts" observed for some vibrations it should be assumed that the intermolecular interaction takes effect not only on the totally symmetric ag modes, but also on the vibrations of other symmetry species.

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