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.
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 Yb(I)-Hg(I), 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.
Université de Toulouse et CNRS INSA, UPS, CNRS, UMR 5215, LPCNO, 135 avenue de Rangueil, 31077 Toulouse, France. laurent.maron@irsamc.ups-tlse.fr.
Julia
J
Lefèvre
Glen B
GB
Deacon
Peter C
PC
Junk
Laurent
L
Maron