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IR-Dichroism of metal dithiocarbamate single crystals by attenuated total reflectance spectroscopy |
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| Authors: | Natacha Trendafilova Georgi St. Nikolov Hans Mikosch Günter Bauer Robert Kellner |
| Affiliation: | (1) Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria;(2) Institute of General Chemistry, Technical University Vienna, Getreidemarkt 9, A-1060 Wien, Austria;(3) Institute of Analytical Chemistry, Technical University Vienna, Getreidemarkt 9, A-1060 Wien, Austria |
| Abstract: | Reliable assignments of most of the bands of vibrational molecular spectra suffer from ambiguous interaction of atomic displacements. Various experimental methods must be used to ascertain the assignment. By means of dichroic measurements of vibrational bands additional information can be obtained to reach this goal. Thus FT-IR ATR spectra of single crystals of Cd(DEDTC)2 were recorded. If the molecular site with respect to the crystallographic cell is taken into account, the symmetry of certain vibrational modes can be determined.For aC2h factor group of the monoclinic cell it is possible to distinguish betweenAu andBu symmetry species by the different dichroic ratios of the vibrational bands. This method supports vibrational assignment being verified by force constant refinement calculations.As a result a correlation between molecular site, symmetry and dichroic ratios of vibrational modes of single crystals is presented. |
| Keywords: | FTIR-ATR-spectroscopy dithiocarbamate single crystals IR-dichroism normal coordinate analysis |
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