Journal
ACS CATALYSIS
Volume 10, Issue 3, Pages 2221-2225Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acscatal.9b05109
Keywords
ring opening polymerization; stereoselective lactide polymerization; DFT calculations; enantiomorphic site control; chiral catalyst
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Funding
- University of Naples Federico II [DR 409_2017]
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A model for stereoselective ring opening polymerization (ROP) of rac-lactide promoted by chiral aluminum systems is reported based on DFT calculations. The mechanism of enantiomorphic site control dictated by the chiral catalyst shows unusual features, including active site reorganization on the reaction path, which add complexity and need to be taken into account when addressing the challenge of chiral catalyst recognition.
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