Computational Insight into Catalytic Control of Poly(ethylene−methyl acrylate) Topology

Abstract

Drent et al. have recently reported on a neutral Pd(II)-based complex with a bidentate sulfonate ligand that is able to copolymerize ethylene (E) and methacrylate (MA) into linear EMA polymers. We report here on a theoretical study that examines the Drent system and compares it to the cationic Brookhart catalyst, which affords branched EMA polymers with MA units at the end of the branches.