STUDIES OF ELECTRONIC-STRUCTURES OF 1,1'-DISUBSTITUTED SILAOXACYCLOHEXA-3,5-DIENES

Spatial and electronic structures of 1,1'-disubstituted silaoxacyclohe xa-3,5-dienes have been calculated using the AMPAC and HYPERCHEM 3.0 p rogram packages. Interatomic distances, bond angles, torsion angles, a tomic charges, electron densities, bond orders, parameters of localize d molecular orbitals, etc. have been determined. Based on data obtaine d, it has been concluded that the -R'SiO- fragment in these molecules is a saturated structural linkage, which exhibits an inductive effect on the diene system; however, the linkage does not interact with the d iene system by the mesomeric (resonance) mechanism.