2019 Fiscal Year Final Research Report
Creation of Carrier Transporting Molecules utilizing Interactions between sigma-Symmetric Orbitals
Project/Area Number |
18K19067
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Research Category |
Grant-in-Aid for Challenging Research (Exploratory)
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Allocation Type | Multi-year Fund |
Review Section |
Medium-sized Section 33:Organic chemistry and related fields
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Research Institution | Saitama University |
Principal Investigator |
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Project Period (FY) |
2018-06-29 – 2020-03-31
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Keywords | σ共役化合物 / σ-π混合非局在系分子 / 有機半導体 / 電荷輸送 / 3次元的分子間相互作用 |
Outline of Final Research Achievements |
The purpose of this study is to construct the theory of charge transporting organic molecules utilizing the interaction between σ-symmetric orbitals. In this study, new molecular systems of "orthogonal σ-conjugated molecule" and "σ-π mixed conjugated molecule" were synthesized, and the charge transporting ability was evaluated. The synthesis of the orthogonal σ-conjugated molecules were very difficult, and the target compounds could not be obtained. Some of the σ-π mixed conjugated molecules could be synthesized by optimizing the reaction conditions, and that these molecular orbitals formed a network structure showing three-dimensional interaction.
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Free Research Field |
物理有機化学
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Academic Significance and Societal Importance of the Research Achievements |
従来までの電荷輸送性有機半導体の化学はπ共役化合物を主軸としたものであった.本研究で取り扱ったσ非局在系化合物は,従来までのπ共役化合物とは軌道対称性が異なるものの,電荷輸送性分子として機能する可能性を実験的および理論化学的に明らかにした点で学術的に意義深い.さらにσ非局在系化合物は,電荷輸送において重要な要素「3次元的な分子間相互作用」と誘起しやすいことも明らかになり,π共役化合物の問題点を克服できる可能性を示唆した.
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