Electronic and Molecular Structures of Polyheteroles: II. Aromaticity and Quinoidicity
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概要
- 論文の詳細を見る
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 $\pi$ electron deficiency, whereas they have a $\pi$ electron excess when replaced by a group V or VI element. Focusing on the $\pi$ 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.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2006-04-15
著者
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Narita Yuki
Department Of Applied Chemistry And Biotechnology Faculty Of Enginnering Fukui University
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Takeda Kyozaburo
Department of Materials Science and Engineering, Waseda University, Tokyo 169-8555, Japan
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Takeda Kyozaburo
Department of Electrical Engineering and Bioscience, Graduate School of Advanced Science and Engineering, Waseda University, Shinjuku, Tokyo 169-8555, Japan
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Narita Yuki
Department of Materials Science and Engineering, Waseda University, Tokyo 169-8555, Japan
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