Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure

Yann Le Gal, Thierry Roisnel, Pascale Auban-Senzier, Nathalie Bellec, Jorge Íñiguez, Enric Canadell, Dominique Lorcy

    Research output: Contribution to journalArticleResearchpeer-review

    31 Citations (Scopus)

    Abstract

    © 2018 American Chemical Society. Molecular metals have been essentially obtained with tetrathiafulvalene (TTF)-based precursors, either with multicomponent ionic materials or, in a few instances, with single-component systems. In that respect, gold bis(dithiolene) complexes, in their neutral radical state, provide a prototype platform toward such single-component conductors. Herein we report the first single-component molecular metal under ambient pressure derived from such Au complexes without any TTF backbone. This complex exhibits a conductivity of 750 S·cm-1 at 300 K up to 3800 S·cm-1 at 4 K. First-principles electronic structure calculations show that the striking stability of the metallic state finds its origin in sizable internal electron transfer from the SOMO-1 to the SOMO of the complex as well as in substantial interstack and interlayer interactions.
    Original languageEnglish
    Pages (from-to)6998-7004
    JournalJournal of the American Chemical Society
    Volume140
    Issue number22
    DOIs
    Publication statusPublished - 6 Jun 2018

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