The ring-opening polymerization of lactides is a highly sought-after strategy for the generation of functional, biorenewable plastics. We have identified modular catalytic systems comprised of alkoxides and thioureas or ureas that can achieve fast and selective ring-opening polymerizations of lactide. This presentation will describe computational studies that have been performed on lactide ring-opening by these catalytic systems which reveal insights into the mechanism and energetics of lactide polymerizations.

Theoretical studies on ring-opening polymerizations by alkoxides and (thio)ureas

2019 Spring National Meeting

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