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 decribe 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

254th National Meeting (2017)

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