Electronic and molecular structures of polyheteroles: II. Aromaticity and quinoidicity

Yuki Narita, Kyozaburo Takeda

研究成果: Article

9 引用 (Scopus)

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We report ab initio results on skeletal deformations in polyheteroles, whose heteroatom X is replaced by group III-VI elements. When the heteroatom is replaced by a group III or IV element, heteroles have a π electron deficiency, whereas they have a π electron excess when replaced by a group V or VI element. Focusing on the π electron deficiency and excess, we study the inherent cause of the aromatic and quinoidic deformations in the skeleton and discuss how carrier doping changes these deformations. Also included in the present subject is how the electron correlation induces a change in these skeletal deformations.

元の言語English
ページ(範囲)2628-2642
ページ数15
ジャーナルJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
45
発行部数4 A
DOI
出版物ステータスPublished - 2006 4 7

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ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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