Supporting ligand-assisted N-heterocyclic carbene palladium complexes: characterization, computation, and catalytic activity in Suzuki–Miyaura cross coupling between aryl and heteroaromatic chlorides and various boronic acids

•A new series of imine–Pd–(N-heterocyclic carbene) complexes have been developed as efficient catalysts.•The mechanism has been illustrated though DFT computations, based on the function of supporting ligands.•Aryl and heteroaromatic chlorides could be synthesized efficiently by using the new catalysts.