A single-component molecular metal based on a thiazole dithiolate gold complex

Nadine Tenn, Nathalie Bellec, Olivier Jeannin, Lidia Piekara-Sady, Pascale Auban-Senzier, Jorge Íñiguez, Enric Canadell, Dominique Lorcy

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    84 Citations (Scopus)

    Abstract

    A single component molecular conductor has been isolated from electrocrystallization of the monoanionic gold bis(dithiolene) complex based on the N-ethyl-1,3-thiazoline-2-thione-4,5-dithiolate (Et-thiazdt) ligand. The crystal structure of the system exhibits layers built from parallel uniform one-dimensional stacks of the planar molecule. At room temperature and ambient pressure the system is semiconducting (0.33 S·cm-1) with a small activation energy. However, the single crystal conductivity is strongly pressure dependent reaching 1000 S·cm-1 at 21 kbar. At 13 kbar there is a crossover between semiconducting and metallic regimes. Thus, the present system is the first well characterized single-component molecular metal without TTF dithiolate ligands. First-principles DFT calculations show that the ground state is antiferromagnetic with a very small band gap. A simulation of the effect of pressure on the electronic structure provides a rationale for the observed variations of the conductivity and gives insight on how to further stabilize the metallic state of the system. © 2009 American Chemical Society.
    Original languageEnglish
    Pages (from-to)16961-16967
    JournalJournal of the American Chemical Society
    Volume131
    Issue number46
    DOIs
    Publication statusPublished - 1 Jan 2009

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