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 for Pd-catalyzed Suzuki Miyaura coupling reaction. Based on the performance of supporting ligands, correlation of structure and catalytic activity has been demonstrated via experimental and computational modeling. A broad reaction scope of aryl and heteroaromatic chlorides could proceed at extremely low catalyst loading (minimum 0.005 mol %). (C) 2016 Elsevier Ltd. All rights reserved.