Electronic Tuning and Catalytic Activity of a Novel Pd(II) Complex Supported by a Tetracoordinate Ligand

The synthesis and study of a novel Pd(II) complex (2) supported by a new tetracoordinate ligand that is based on a bis(N-heterocyclic carbene) with two pendant pyrimidinyl donors is described. The complex was characterized using a series of spectroscopic, analytical, and computational techniques. A preliminary assessment showed that 2 displayed good performance in Suzuki-Miyaura coupling reactions between phenyl boronic acid and an assortment of substituted bromobenzenes. Finally, the intrinsic electronic characteristics of the complex were elucidated through DFT-based molecular orbital calculations which revealed that the coordinated metal center was relatively electron deficient and stabilized by a series of ligand dominated interactions.