Synthesis of a quinoidal dithieno[2,3-D;2′,3′- d] benzo[2,1- b;3,4- b ′]-dithiophene based open-shell singlet biradicaloid

Debin Xia, Ashok Keerthi, Cunbin An, Martin Baumgarten

    Research output: Contribution to journalArticlepeer-review

    Abstract

    A fused heteroacene derivative, bis(dicyanomethylene)-end-capped-dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b′]-dithiophene (4CN-DTmBDT) was synthesized. Its open-shell biradical character in the ground state is studied by a combination of electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR). Structural assignment was verified with single crystal X-ray diffraction analysis. A highly stable biradicaloid with a low energy gap and low LUMO level is achieved.

    Original languageEnglish
    Pages (from-to)18-21
    Number of pages4
    JournalOrganic Chemistry Frontiers
    Volume4
    Issue number1
    Early online date31 Oct 2016
    DOIs
    Publication statusPublished - 1 Jan 2017

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