XAS Investigation of Ti Sites in Ziegler-Natta Precatalysts for Polypropylene Polymerization

This proposal aims to investigate the molecular-level structure of Ti sites in Ziegler-Natta precatalysts using XAS at the Ti K-edge. Our primary objectives are to examine Ti sites in propylene polymerization precatalysts, both treated and untreated with pyridine, and to compare these with well-defined molecular references. By analyzing the XANES spectra, we will focus on identifying key spectroscopic signatures related to Ti oxidation state, coordination geometry, and the influence of alkoxo ligands and internal donors. This study will provide crucial insights into the structure-performance relationship of Ti sites in Ziegler-Natta catalysts, advancing the understanding of their role in catalysis and aiding in the rational design of more efficient polymerization catalysts.