Synthesis and characterization of N-heterocyclic carbene-MMIDLINE HORIZONTAL ELLIPSISOEt2 complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]+ species

We report the synthesis, characterization and computational analysis of coinage metal-ether complexes supported by N-heterocyclic carbenes (NHC), SIPr and (Et2)CAAC. 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 sigma-hole bonding with an almost linear disposition, taking advantage of the enhanced sigma-hole potential evaluated for such [(NHC)M](+) species. This enhanced ability is larger than those found for non-covalent interactions involving main group species.

Automated summary

In this study, coinage metal-ether complexes supported by N-heterocyclic carbenes were synthesized, characterized, and computationally analyzed. The complexes showed a notable ability to bind Et2O and H2O, which is attributed to a sigma-hole bonding mechanism with an almost linear disposition. This enhanced ability surpasses that of non-covalent interactions involving main group species.