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Curve effect on the pai-electron moiety

Research Project

Project/Area Number 16K13954
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Organic chemistry
Research InstitutionHiroshima University

Principal Investigator

Abe Manabu  広島大学, 理学研究科, 教授 (30273577)

Project Period (FY) 2016-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2016: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Keywordscurved molecule / pai electron / アルケン / π軌道 / 局面π電子系 / ビシクロ[1.1.0]ブト-1(3)-エン / 局面π電子構造 / 量子化学計算 / カルベン / スピン多重度 / π結合 / 歪化合物
Outline of Final Research Achievements

Alkenes usually have a planar structure, π orbitals are extended in the direction perpendicular to the molecular plane, which are involved in absorption and emission of light energy, electron transfer. In recent years, a carbon material having a π-conjugated electron system as represented by fullerenes and carbon nanotubes has drawn attention as a next-generation functional material. The reason is the unique electron transfer ability and low excitation energy generated from the π electron system. However, the understanding of the electronic properties generated by the π-electron system is inexperienced, and the effects of the π-electron system are not clearly understood. In this research, the electronic property of bicyclo [1.1.0] but- -1 (3) -ene was examined as an example of the distorted π-electron compound.

Report

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

    (3 results)

All 2017 2016 Other

All Journal Article (2 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 2 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Remarks (1 results)

  • [Journal Article] Computational study on 1,3-disilacyclobutane-1,3-diylidene disilylenes: A synthetic strategy for cis-bent disilenes2017

    • Author(s)
      Fujita Yoshiki、Abe Manabu
    • Journal Title

      Journal of Physical Organic Chemistry

      Volume: 30 Issue: 9

    • DOI

      10.1002/poc.3724

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational Study of Cyclobutane-1,3-diylidene Dicarbenes: Ground-State Spin Multiplicity and New Strategy toward the Synthesis of Bicyclo[1.1.0]but-1(3)-enes2016

    • Author(s)
      Yoshiki Fujita, Manabu Abe, Yoshihito Shiota, Tatsuya Suzuki, and Kazunari Yoshizawa
    • Journal Title

      Bull. Chem. Soc. Jpn

      Volume: 89 Issue: 7 Pages: 770-778

    • DOI

      10.1246/bcsj.20160051

    • NAID

      130005253040

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Remarks]

    • URL

      http://home.hiroshima-u.ac.jp/mabe/Welcome.html

    • Related Report
      2016 Research-status Report

URL: 

Published: 2016-04-21   Modified: 2019-03-29  

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