A Valence Bond Analysis of Olefin Polymerization Catalysts Timothy K. Firman and Tom Ziegler
Olefin Polymerization Very important industrial processes Many non-metallocene catalysts have recently been discovered A variety of d 0 homogeneous catalysts are known, as well as some which are d 6, d 7, or d 8. A better understanding of the effects of changing metal and ligands will lead to better catalysts
More Localized Orbitals Chain Termination (via -hydride transfer)
Future Work Analysis of amide/amine systems which include constraining ligands Further investigation of electronic effects of ligands on transition state energies Exploration of -conjugated ring ligands with variable ligand-metal bond order.
Acknowledgements Tom ZieglerRochus Schmid Tom GilbertSergei Patchkovskii The Ziegler Group NSERC and Nova