Transuranic computational chemistry

    Research output: Contribution to journalReview articlepeer-review

    125 Downloads (Pure)

    Abstract

    Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table.
    Original languageEnglish
    Pages (from-to)2815–2825
    JournalChemistry: A European Journal
    Volume24
    Early online date18 Oct 2017
    DOIs
    Publication statusPublished - 2018

    Keywords

    • Transuranic
    • computational
    • DFT
    • Ab initio
    • covalency

    Fingerprint

    Dive into the research topics of 'Transuranic computational chemistry'. Together they form a unique fingerprint.

    Cite this