Mechanistic understanding of polar monomers polymerization

Details

Catalysts capable to polymerize polar vinyl monomers and to incorporate comonomers with polar functions into nonpolar polymers is still a significant challenge in polymer synthesis. Although these new polymeric materials are highly attractive from an industrial viewpoint, currently available catalytic systems have not yet performances sufficient for industrialization or, in the most favorable case, there is still large space for improvement. In this scenario, we focus on mechanistic calculations with the objective to achieve a deep elucidation of the reaction pathways of homo/co-polymerization of polar vinyl monomers with different catalytic systems, since this understanding can help to improve, or even design, better catalysts.