Abstract
Conformations of the model dichlorodiethylsilane molecule were systematically studied in order to establish conformations of the alkyl groups relative to the Si—C bond in polydialkyl-silanes. The temperature dependence of the Raman and IR spectra was studied. Quantum chemical calculations were performed of the energy characteristics as well as the normal mode frequencies, eigenvectors, and intensities of four possible conformers. In the crystalline state Et2SiCl2 exists as the most energetically favorable aa-conformer, whereas in the liquid state Et2SiCl2 represents a mixture of almost isoenergetic g+g+-and ag-conformers with the predomination of the latter at room temperature.
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