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X-ray Absorption Spectroscopic, Crystallographic, Theoretical (DFT) and Chemical Evidence for a Chalcogen–Chalcogen Two-Center/Three-Electron Half Bond in an Unprecedented “Subselenide” Se23− Ligand

Authors

  • Dr. Shu A. Yao,

    1. Department of Chemistry, University of Wisconsin–Madison, 1101 University Ave., Madison, WI 53706 (USA)
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  • Prof. Kyle M. Lancaster,

    1. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, NY 14853 (USA)
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  • Dr. Andreas W. Götz,

    1. San Diego Supercomputer Center, University of California San Diego, La Jolla, CA 92093 (USA)
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  • Prof. Serena DeBeer,

    1. Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, NY 14853 (USA)
    2. Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–36, 45470 Mülheim an der Ruhr (Germany)
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  • Prof. John F. Berry

    Corresponding author
    1. Department of Chemistry, University of Wisconsin–Madison, 1101 University Ave., Madison, WI 53706 (USA)
    • Department of Chemistry, University of Wisconsin–Madison, 1101 University Ave., Madison, WI 53706 (USA)
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Abstract

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Doing things by halves: The dimeric compound (Cp′Ni)22-Se2) (Cp′=1,2,3,4-tetraisopropylcyclopentadienyl), shown in the scheme, was investigated by using low temperature X-ray crystallography and X-ray absorption spectroscopy. The Se K-edge energy strongly indicates a Se physical oxidation state of −1.5, consistent with an unprecedented two-center/three-electron half-bonded Se23− or “subselenide” ion.

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