Simple synthesis of [Au(NHC)X] complexes utilizing aqueous ammonia: revisiting the weak base route mechanism†

Abstract

Aqueous ammonia has been examined as a new weak base for the synthesis of [Au(NHC)Cl] complexes, as well as for the activation of C–H, S–H, and N–H bonds. Its low cost and mild operational conditions (in air and using technical grade solvents) make it an attractive alternative for producing gold-NHC complexes. Synthetic pathways have been investigated in silico, assessing the role of the deprotonation and metalation steps within the reaction mechanisms.