Skeleton side-group interaction in organopolysilane

The skeleton <̂>side-group interaction due to <̂>-<̂ mixing in organopolysilane <>(SiXY)n <> where X and Y are methyl (Me) and phenyl (<>) groups, has been theoretically investigated. The results are discussed on the basis of uv photoemission experiments. The <>-<> interaction at the valence-band edge produces not only the delocalized <> states along the Si skeleton, but also the localized <> states in the individual <> side groups. On the other hand, the <>*-<>* interaction at the conduction-band edge is inhibited owing to the orbital symmetry. This paper also presents the results of theoretical investigations on the influence of side-group substitution and of <>side-group rotation on the electron distribution along the Si skeleton.