On the reaction mechanism of redox transmetallation of elemental Yb with Hg(C6F5)2 and subsequent reactivity of Yb(C6F5)2 with pyrazole: a DFT investigation
Journal Publication ResearchOnline@JCULefévre, Julia;Deacon, Glen B.;Junk, Peter C.;Maron, Laurent
Abstract
DFT investigations of the redox transmetallation reaction of the diorganomercurial (Hg(C6F5)2) with Yb metal, yielding Yb(C6F5)2, allowed us to define a very low energy reaction mechanism. This involves formation of a metal–metal bonded, formally YbI–HgI, intermediate valence complex, (C6F5)Yb–Hg(C6F5). The subsequent reactivity of the divalent ytterbium complex with pyrazole was also computationally investigated, indicating that σ-bond metathesis occurs at divalent ytterbium.
Journal
Chemical Communications
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Volume
51
ISBN/ISSN
1364-548X
Edition
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Issue
82
Pages Count
3
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Publisher
Royal Society of Chemistry
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EISSN
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DOI
10.1039/c5cc05439g