VIBRATIONAL ANALYSES OF SILACYCLOPENT-3-ENES
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abstract
The complete i.r. and Raman spectra of silacyclopent-3-ene, silacyclopent-3-ene-1,1-d2, 1,1-difluoro-1-silacyclopent-3-ene, and 1,1-dichloro-1-silacyclopent-3-ene have been recorded and the vibrations have been assigned. The spectra strongly suggest that each of the molecules is planar with C2v symmetry. The observed i.r. band types are consistent with the structures estimated for these molecules. A normal coordinate calculation utilizing a general quadratic force field has been carried out for each molecule. Thirty-seven different non-zero force constants were used to obtain a good fit with the sixty-four observed frequencies for the hydride and deuteride. When these constants were transferred to the fluoride and chloride, and when the silicon-halogen force constants were readjusted, a satisfactory fit was obtained for these molecules. Considerable mixing of many vibrational modes, including several SiX2 motions, was found for all four molecules. 1972.