Rational design and synthesis of pi-conjugated wire which shows high efficiency and low attenuation of electron tunneling

2017 Fiscal Year Final Research Report

• Project/Area Number: 15H03794
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Functional solid state chemistry
• Research Institution: Kyoto University
• Principal Investigator: MATSUDA Kenji 京都大学, 工学研究科, 教授 (80262145)
• Co-Investigator(Renkei-kenkyūsha): HIGASHIGUCHI Kenji 京都大学, 工学研究科, 助教 (90376583) ; HIROSE Takashi 京都大学, 工学研究科, 助教 (30626867)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: 分子コンダクタンス / 電子トンネリング / 分子ワイヤ / 交換相互作用 / π共役系

Outline of Final Research Achievements

Theoretical calculations of exchange interactions between radicals show that ca. 400-fold photoswitching occurs with 3-thienylethene, which was found to be greater than that of S,S-dioxide derivatives and 2-thienylethene. We investigated the change of spin exchange interaction (J) and first hyperpolarizability (β) accompanying optical switching of diarylethene using DFT calculation and clarified the basic operation principle of photoswitching of J and β. Since the S1 - S0 transition of [5]helicene is symmetry forbidden, the fluorescence quantum yield is as low as 4%, but by introducing substituents at appropriate positions, the transition became symmetry allowed and the fluorescence quantum yield has been successfully improved to 23%.

Free Research Field

物理有機化学