Electronic Structures of Organosilicon Polymers Containing Thienylene Units

Kazuyoshi Tanaka, Hiroki Ago, Tokio Yamabe, Mitsuo Ishikawa, Takafumi Ueda

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

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 fieldcrystal orbital method. The result suggests that the sp3-hybridized orbital of silicon atoms almost cuts off the π-conjugation occurring from the thienylene units. The π-π* interband transition energy becomes smaller with an increase of n (number of thiophene rings), while the σ-σ* 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.

Original languageEnglish
Pages (from-to)3496-3501
Number of pages6
JournalOrganometallics
Volume13
Issue number9
DOIs
Publication statusPublished - Sep 1 1994
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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