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Oxygen radical character in group 11 oxygen fluorides

Author

Listed:
  • Lin Li

    (Freie Universität Berlin)

  • Tony Stüker

    (Freie Universität Berlin)

  • Stefanie Kieninger

    (Freie Unversität Berlin)

  • Dirk Andrae

    (Freie Unversität Berlin)

  • Tobias Schlöder

    (Universität Gießen)

  • Yu Gong

    (University of Virginia)

  • Lester Andrews

    (University of Virginia)

  • Helmut Beckers

    (Freie Universität Berlin)

  • Sebastian Riedel

    (Freie Universität Berlin)

Abstract

Transition metal complexes bearing terminal oxido ligands are quite common, yet group 11 terminal oxo complexes remain elusive. Here we show that excited coinage metal atoms M (M = Au, Ag, Cu) react with OF2 to form hypofluorites FOMF and group 11 oxygen metal fluorides OMF2, OAuF and OAgF. These compounds have been characterized by IR matrix-isolation spectroscopy in conjunction with state-of-the-art quantum-chemical calculations. The oxygen fluorides are formed by photolysis of the initially prepared hypofluorites. The linear molecules OAgF and OAuF have a 3Σ − ground state with a biradical character. Two unpaired electrons are located mainly at the oxygen ligand in antibonding O−M π* orbitals. For the 2B2 ground state of the OMIIIF2 compounds only an O−M single bond arises and a significant spin-density contribution was found at the oxygen atom as well.

Suggested Citation

  • Lin Li & Tony Stüker & Stefanie Kieninger & Dirk Andrae & Tobias Schlöder & Yu Gong & Lester Andrews & Helmut Beckers & Sebastian Riedel, 2018. "Oxygen radical character in group 11 oxygen fluorides," Nature Communications, Nature, vol. 9(1), pages 1-6, December.
    • Handle: RePEc:nat:natcom:v:9:y:2018:i:1:d:10.1038_s41467-018-03630-0
    DOI: 10.1038/s41467-018-03630-0
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