Stereoselectivity in metallocene-catalyzed coordination polymerization of renewable methylene butyrolactones: From stereo-random to stereo-perfect polymers
KAUST DepartmentBiological and Environmental Sciences and Engineering (BESE) Division
KAUST Catalysis Center (KCC)
Physical Sciences and Engineering (PSE) Division
Chemical Science Program
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AbstractCoordination polymerization of renewable α-methylene-γ-(methyl) butyrolactones by chiral C 2-symmetric zirconocene catalysts produces stereo-random, highly stereo-regular, or perfectly stereo-regular polymers, depending on the monomer and catalyst structures. Computational studies yield a fundamental understanding of the stereocontrol mechanism governing these new polymerization reactions mediated by chiral metallocenium catalysts. © 2012 American Chemical Society.
SponsorsWe thank the U.S. National Science Foundation (NSF-1012326 to E.Y.-X.C.) and the National Science Foundation of China (no. 21072120 to X.C.) for financial support. L. Cavallo thanks the HPC team of Enea (www.enea.it) for use of the ENEA-GRID and HPC facilities CRESCO (www.cresco.enea.it) in Portici, Italy. We also thank Wesley Mariott and Garret Miyake for some initial experiments on the MBL polymerization by catalyst 1.
PublisherAmerican Chemical Society (ACS)