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

Julia Lefevre, Glen Berenger Deacon, Peter Courtney Junk, Laurent Maron

Research output: Contribution to journalArticleOtherpeer-review

5 Citations (Scopus)


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
Original languageEnglish
Pages (from-to)15173-15175
Number of pages3
JournalChemical Communications
Issue number82
Publication statusPublished - 2015

Cite this