Molecular Structure and Internal Rotation of Hexachloroethane, Hexachlorodisilane, and Trichloromethylhyphen;Trichlorosilane

摘要

The molecular structure and internal rotation of C2Cl6, SiCCl6, and Si2Cl6molecules were investigated by means of the sector‐microphotometer method of electron diffraction. An unmodified radial distribution function was proposed together with a reliability factor for the analysis of intensity curves obtained by the sector method.Two methods were used for estimating the height of potential barrier; one, which is applicable in case of high potential barrier, is to compute the height from the observed mean square amplitude of thegauchechlorine pair, the contribution of the skeleton vibrations being evaluated by a calculation based upon the force field compatible with the observed normal frequencies. The other method, which is available in case of low barrier, is to calculate the scattering intensity of a model having a certain potential barrier by taking a weighted average over‐all values of internal angle. For SiCCl6both approximate methods resulted in almost the same value for the barrier height. The heights of the potential barrier obtained were 10.8, 4.3, and 1 kcal/mole for C2Cl6, SiCCl6, and Si2Cl6, respectively.