PE AND UV SPECTRA OF LINEAR AND CYCLIC POLYSILANES AND ASSIGNMENT BY AB INITIO CALCULATIONS |
| |
| Authors: | Harald Stüger Edwin Hengge Rudolf Janoschek |
| |
| Institution: | 1. Institut für Anorganische Chemie der Technischen Universit?t Graz , A-8010 , Graz , Austria;2. Institut für Theoretische Chemie der Karl-Franzens-Universit?t Graz , A-8010 , Graz , Austria |
| |
| Abstract: | Abstract Ab initio calculations have been performed on linear and cyclic polysilanes including permethylsubstituted compounds. Koopmans' approximation was used for assigning experimentally obtained PE and UV spectra. The PE spectrum of octamethylcyclotetrasilane and the UV spectra of cyclopenta and cyclohexasilane are presented for the first time. |
| |
| Keywords: | Ab initio calculations linear and cyclic polysilanes PE UV spectra |
|
