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

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 <i>in silico</i>, assessing the role of the deprotonation and metalation steps within the reaction mechanisms.