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Control of light-driven fast internal rotation in crystalline molecular gyroscopes: Theoretical design, synthesis, and measurement

Research Project

Project/Area Number 15KT0138
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section特設分野
Research Field Transition State Control
Research InstitutionTohoku University

Principal Investigator

Kanno Manabu  東北大学, 理学研究科, 助教 (30598090)

Co-Investigator(Kenkyū-buntansha) 瀬高 渉  首都大学東京, 都市環境科学研究科, 准教授 (60321775)
Co-Investigator(Renkei-kenkyūsha) KONO HIROHIKO  東北大学, 大学院理学研究科, 教授 (70178226)
Project Period (FY) 2015-07-10 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywords遷移状態 / 結晶 / 動的機能分子 / ナノテクノロジー / テラヘルツ波 / 分子動力学計算
Outline of Final Research Achievements

Beyond the limitations of conventional transition-state studies focusing on small molecular systems in a gas or solution, we have developed a control method for transition states of chemical reactions or molecular motions in a solid (crystal). Crystalline molecular gyroscopes have an aromatic ring (rotor) encased in an exterior framework (stator) and the ring rotates around the bond axis that bridges the rotor and stator. Manipulating the fast internal rotation in molecular gyroscopes will give birth to novel optical materials. We successfully reproduced the crystal structures of molecular gyroscopes with a polar rotor and a cage-like stator, and theoretically evaluated their rotational barriers. We also performed the simulations of thermally induced and light-driven internal rotations in the molecular gyroscopes and found that continuous rotation can be achieved in several ns after the initiation of exposure to infrared lasers.

Report

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

    (8 results)

All 2018 2017 2015

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

  • [Journal Article] A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence2017

    • Author(s)
      A. Fujiwara, Y. Inagaki, H. Momma, E. Kwon, K. Yamaguchi, M. Kanno, H. Kono, and W. Setaka
    • Journal Title

      Cryst. Eng. Comm.

      Volume: 19 Issue: 40 Pages: 6049-6056

    • DOI

      10.1039/c7ce01081h

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Rotational dynamics of a crystalline molecular gyroscope driven by an external terahertz field2015

    • Author(s)
      Wilfredo Credo Chung, 道股 知也, 小林 倫仁, 池田 嘉寿人, Anant Babu Marahatta, 菅野 学, 瀬高 渉, Stephan Irle, 河野 裕彦
    • Organizer
      第6回 CMSI 研究会
    • Place of Presentation
      東京大学本郷キャンパス(東京都・文京区)
    • Year and Date
      2015-12-07
    • Related Report
      2015 Research-status Report
  • [Presentation] Dynamics of Crystalline Molecular Gyroscopes Driven by Terahertz Radiations2015

    • Author(s)
      Wilfredo Credo Chung, Tomoya Michimata, Tomohito Kobayashi, Kazuto Ikeda, Anant Babu Marahatta, Manabu Kanno, Wataru Setaka, Stephan Irle, Hirohiko Kono
    • Organizer
      5th International Workshop on Massively Parallel Programming Now in Quantum Chemistry and Physics - Toward exascale computing
    • Place of Presentation
      東京大学本郷キャンパス(東京都・文京区)
    • Year and Date
      2015-11-26
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] THz-Driven Internal Rotation in Crystalline Molecular Gyroscopes: Density-Functional-Based Tight-Binding Simulation2015

    • Author(s)
      Manabu Kanno, Tomoya Michimata, Tomohito Kobayashi, Wilfredo Credo Chung, Wataru Setaka, Hirohiko Kono
    • Organizer
      International Workshop on Photo-induced Molecular Functioning
    • Place of Presentation
      新竹(台湾)
    • Year and Date
      2015-11-16
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Dynamics of Crystalline Molecular Gyroscopes Having Fluorine-Substituted Rotators Driven by Terahertz Radiations2015

    • Author(s)
      遠藤 香織, 道股 知也, 小林 倫仁, Wilfredo Credo Chung, 菅野 学, 瀬高 渉, 河野 裕彦
    • Organizer
      平成27年度化学系学協会東北大会
    • Place of Presentation
      弘前大学文京キャンパス(青森県・弘前市)
    • Year and Date
      2015-09-12
    • Related Report
      2015 Research-status Report
  • [Book] 分子シミュレーション研究会会誌 アンサンブル2018

    • Author(s)
      菅野 学, 花崎 浩太, 山崎 馨, Thomas A. Niehaus, 河野 裕彦
    • Total Pages
      76
    • Publisher
      分子シミュレーション研究会
    • Related Report
      2017 Annual Research Report
  • [Book] 分子マシンの科学2017

    • Author(s)
      菅野 学, 河野 裕彦
    • Total Pages
      200
    • Publisher
      化学同人
    • ISBN
      9784759813869
    • Related Report
      2017 Annual Research Report
  • [Book] 東北大学サイバーサイエンスセンター 大規模科学計算システム広報(SENAC)2015

    • Author(s)
      菅野 学, 小林 倫仁, Wilfredo Credo Chung, 山崎 馨, 瀬高 渉, 河野 裕彦
    • Total Pages
      64
    • Publisher
      東北大学サイバーサイエンスセンター
    • Related Report
      2015 Research-status Report

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Published: 2015-07-14   Modified: 2019-03-29  

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