Role of the Open-Shell Character on the Pressure-Induced Conductivity of an Organic Donor–Acceptor Radical Dyad

Manuel Souto, Maria Chiara Gullo, Heng Bo Cui, Nicola Casati, Fabio Montisci, Harald Olaf Jeschke, Roser Valentí, Imma Ratera, Concepció Rovira, Jaume Veciana

    Research output: Contribution to journalArticlepeer-review

    10 Citations (Scopus)

    Abstract

    Single-component conductors based on neutral organic radicals have received a lot of attention due to the possibility that the unpaired electron can serve as a charge carrier without the need of a previous doping process. Although most of these systems are based on delocalized planar radicals, we present here a nonplanar and spin localized radical based on a tetrathiafulvalene (TTF) moiety, linked to a perchlorotriphenylmethyl (PTM) radical by a conjugated bridge, which exhibits a semiconducting behavior upon application of high pressure. The synthesis, electronic properties, and crystal structure of this neutral radical TTF-Ph-PTM derivative (1) are reported and implications of its crystalline structure on its electrical properties are discussed. On the other hand, the non-radical derivative (2), which is isostructural with the radical 1, shows an insulating behavior at all measured pressures. The different electronic structures of these two isostructural systems have a direct influence on the conducting properties, as demonstrated by band structure DFT calculations.

    Original languageEnglish
    Pages (from-to)5500-5505
    Number of pages6
    JournalChemistry - A European Journal
    Volume24
    Issue number21
    DOIs
    Publication statusPublished - Apr 11 2018

    Keywords

    • donor–acceptor
    • organic radical
    • polychlorotriphenylmethyl
    • single-component conductor
    • tetrathiafulvalene

    ASJC Scopus subject areas

    • Catalysis
    • Organic Chemistry

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