Tuning of Open-shell Characters of a Terphenoquinone by Introducing a Benzodithiophene Unit

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Author(s)

    • Tomita Hiroshi
    • Department of Molecular Engineering, Graduate School of Engineering, Kyoto University|Department of Applied Chemistry, Graduate School of Engineering, Osaka University
    • Sakamaki Daisuke
    • Department of Molecular Engineering, Graduate School of Engineering, Kyoto University|Department of Applied Chemistry, Graduate School of Engineering, Osaka University
    • Noguchi Mariko
    • Research Center for Structural Thermodynamics, Graduate School of Science, Osaka University
    • Nakano Motohiro
    • Research Center for Structural Thermodynamics, Graduate School of Science, Osaka University
    • Seki Shu
    • Department of Molecular Engineering, Graduate School of Engineering, Kyoto University|Department of Applied Chemistry, Graduate School of Engineering, Osaka University

Abstract

<p>We report the structures and the electronic properties of a novel terphenoquinone derivative having a benzo[1,2-<i>b</i>:4,5-<i>b</i>′]dithiophene (BDT) unit as a central ring. This molecule exhibits the open-shell biradical characters resulting from the thermally accessible open-shell structure. X-ray structure analysis and magnetic measurements clarify that this molecule has a closed-shell ground state, which is lower than the open-shell biradical state by 10.4 kJ mol<sup>−1</sup>. The electronic absorption and electrochemical measurements reveal the small HOMO–LUMO gap about 1.3 eV of this molecule.</p>

Journal

  • Chemistry Letters

    Chemistry Letters 46(6), 805-807, 2017

    The Chemical Society of Japan

Codes

  • NII Article ID (NAID)
    130005689372
  • Text Lang
    ENG
  • ISSN
    0366-7022
  • Data Source
    J-STAGE 
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