ELECTRONIC-STRUCTURES OF ORGANOSILICON POLYMERS CONTAINING THIENYLENE UNITS

被引：19

作者：

TANAKA, K ^{[1
]}

AGO, H ^{[1
]}

YAMABE, T ^{[1
]}

ISHIKAWA, M ^{[1
]}

UEDA, T ^{[1
]}

机构：

[1] HIROSHIMA UNIV,FAC ENGN,DEPT APPL CHEM,HIGASHIHIROSHIMA 724,JAPAN

来源：

ORGANOMETALLICS | 1994年 / 13卷 / 09期

关键词：

D O I：

10.1021/om00021a024

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The electronic structures of simplified poly(disilanylene(thienylene)(n)) (n = 1-5) have been studied in detail on the basis of the one-dimensional tight-binding self-consistent field-crystal orbital method. The result suggests that the sp(3)-hybridized orbital of silicon atoms almost cuts off the pi-conjugation occurring from the thienylene units. The pi-pi* interband transition energy becomes smaller with an increase 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.

引用

页码：3496 / 3501

页数：6

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