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

Research Project

Project/Area Number 15H03794
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Functional solid state chemistry
Research InstitutionKyoto 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
Project Status Completed (Fiscal Year 2017)
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)
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%.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • Research Products

    (14 results)

All 2017 2016 2015 Other

All Int'l Joint Research (2 results) Journal Article (3 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 3 results,  Acknowledgement Compliant: 2 results) Presentation (8 results) (of which Int'l Joint Research: 4 results,  Invited: 2 results) Remarks (1 results)

  • [Int'l Joint Research] University of Nantes(France)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] University of Nantes(フランス)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Control over the Emission Properties of [5]Helicenes Based on the Symmetry and Energy Levels of Their Molecular Orbitals2017

    • Author(s)
      Kubo Hiromu、Hirose Takashi、Matsuda Kenji
    • Journal Title

      Organic Letters

      Volume: 19 Issue: 7 Pages: 1776-1779

    • DOI

      10.1021/acs.orglett.7b00548

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational Investigation on the Switching Efficiency of Diarylethene: Comparison between the First Hyperpolarizability and Exchange Interaction2016

    • Author(s)
      S. Nishizawa, A. Fihey, D. Jacquemin, K. Matsuda
    • Journal Title

      Chem. Phys. Lett.

      Volume: 659 Pages: 258-262

    • DOI

      10.1016/j.cplett.2016.07.027

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Computational Investigation into Photoswitching Efficiency of Diarylethene Derivatives: An Insight Based on Decay Constant of Electron Tunneling2015

    • Author(s)
      S. Nishizawa, J.-y. Hasegawa, K. Matsuda
    • Journal Title

      J. Phys. Chem. C

      Volume: 119 Issue: 34 Pages: 20169-20178

    • DOI

      10.1021/acs.jpcc.5b06738

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] ビラジカル間の交換相互作用による芳香族ユニットの伝導特性の評価2017

    • Author(s)
      溝川翼・東口顕士・松田建児
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶応義塾大学日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] Decay Constant of Exchange Interaction between Organic Raicals Bridged by π-Conjugated Molecular Wires2017

    • Author(s)
      K. Matsuda
    • Organizer
      The 8th Conference on Nitroxide Radicals (SPIN-2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Strategic improvement of the emission properties by controlling the symmetry and energy levels of their molecular orbitals2017

    • Author(s)
      Hiromu Kubo, Takashi Hirose, Kenji Matsuda
    • Organizer
      The 28th International Conference on Photochemistry (ICP 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ビラジカル間の交換相互作用による分子ワイヤの減衰定数の評価2016

    • Author(s)
      東口顕士・四宮正尭・湯元孝治・溝川 翼・松田建児
    • Organizer
      第27回基礎有機化学討論会
    • Place of Presentation
      広島国際会議場(広島県・広島市)
    • Year and Date
      2016-09-01
    • Related Report
      2016 Annual Research Report
  • [Presentation] ジアリールエテンの交換相互作用および超分極率のスイッチング効率の構造依存性の計算化学的評価2016

    • Author(s)
      西澤尚平、Arnaud Fihey、Denis Jacquemin、長谷川淳也、松田建児
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学(京都府・京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] Evaluation of beta value of pi-conjugated molecular wires by probing exchange interaction between two nitroxide radicals2015

    • Author(s)
      Kenji Matsuda
    • Organizer
      Pacifichem 2015, Syposium#309, Nitroxide Radicals: Synthesis and Functional Bio-/Nanomaterials
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Investigation of the Efficiency of Electron Propagating through Molecules Using Biradical Molecular Wires by DFT Calculations2015

    • Author(s)
      Shohei Nishizawa, Jun-ya Hasegawa, Kenji Matsuda
    • Organizer
      Pacifichem 2015, Syposium#309, Nitroxide Radicals: Synthesis and Functional Bio-/Nanomaterials
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ジアリールエテン誘導体の光スイッチング効率に関する計算化学的研究:電子トンネリング効率に基づく考察2015

    • Author(s)
      西澤尚平、長谷川淳也、松田建児
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学(東京都・目黒区)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Remarks] 京都大学 松田研究室

    • URL

      http://www.sbchem.kyoto-u.ac.jp/matsuda-lab/

    • Related Report
      2015 Annual Research Report

URL: 

Published: 2015-04-16   Modified: 2019-03-29  

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