Rational design and synthesis of pi-conjugated wire which shows high efficiency and low attenuation of electron tunneling
| Project/Area Number |
15H03794
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Functional solid state chemistry
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| Research Institution | Kyoto University |
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Principal Investigator |
MATSUDA Kenji 京都大学, 工学研究科, 教授 (80262145)
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| 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)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2017: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Fiscal Year 2015: ¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
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| 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 |
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| 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%.
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Report
(4 results)
Research Products
(14 results)
