Synthesis and characterization of N-heterocyclic carbene–M⋯OEt2 complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]+ species

Abstract

We report the synthesis, characterization and computational analysis of coinage metal-ether complexes supported by N-heterocyclic carbenes (NHC), SIPr and ^Et2CAAC. The related water adducts are also included. The [(NHC)M]⁺(M = Cu, Ag, Au) species show the noteworthy ability to bind Et₂O and H₂O. This interaction towards Et₂O and H₂O is partly ascribed to a σ-hole bonding with an almost linear disposition, taking advantage of the enhanced σ-hole potential evaluated for such [(NHC)M]⁺ species. This enhanced ability is larger than those found for non-covalent interactions involving main group species.