Understanding and Enhancing Stereoselective Polymerization Using a Data Science Approach.

ABSTRACT: Controlling the tacticity of synthetic polymers results in the transformation of simple chemical building blocks into valuable materials with emergent physical properties. Mechanistic insight into stereoselective polymerizations enables hypothesis-driven improvements to catalysts and gives access to polymers with systematic differences in tacticity for structure-property studies. Studying the mechanism of stereoselective polymerization, especially of heteroatom-containing monomers that polymerize through ionic intermediates, is hindered by the challenges of using traditional physical-organic or computational approaches. Here, we use a combination of experiments and computationally derived molecular descriptors to identify quantitative relationships between catalyst structure and stereosele

SUBMITTER: Kozuszek CT 

PROVIDER: S-EPMC12743627 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature