The inductive hyperconjugative and d-orbital effects of PhSiMe3, PhSiH3, PhSiF3 and of the respective carbon analogues have been investigated. Comparisons of calculated (CNDO/S method) and observed shifts for HOMO and LUMO levels indicate that all three effects have important roles in the organosilicon compounds. The relative importance of the effects depends on the compound; e.g. in PhSiMe3 and PhSiH3 hyperconjugation is the main effect, but in PhSiF3 the effect of the d-orbitals is more important. The bathochromic shift in the UV transition of organosilicon compounds is not evident for the d-orbital effect.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
- Materials Chemistry