ELECTRONIC-STRUCTURES OF ORGANOSILICON POLYMERS CONTAINING THIENYLENEUNITS

Citation
K. Tanaka et al., ELECTRONIC-STRUCTURES OF ORGANOSILICON POLYMERS CONTAINING THIENYLENEUNITS, Organometallics, 13(9), 1994, pp. 3496-3501
Citations number
40
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
ISSN journal
0276-7333
Volume
13
Issue
9
Year of publication
1994
Pages
3496 - 3501
Database
ISI
SICI code
0276-7333(1994)13:9<3496:EOOPCT>2.0.ZU;2-3
Abstract
The electronic structures of simplified poly(disilanylene(thienylene)( n)) (n = 1-5) have been studied in detail on the basis of the one-dime nsional tight-binding self-consistent field-crystal orbital method. Th e result suggests that the sp(3)-hybridized orbital of silicon atoms a lmost cuts off the pi-conjugation occurring from the thienylene units. The pi-pi interband transition energy becomes smaller with an increa se of n (number of thiophene rings), while the sigma-sigma one shows almost no change. Electronic structures of poly(ethylene(thienylene)(n )) (n = 1-3), poly(silylene(thienylene)(n)) (n = 1), and polythiophene have also been examined for comparison.