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.

中文翻译：

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立体选择性丙交酯聚合：手性催化剂识别的挑战

基于DFT计算，报道了由手性铝体系促进的rac-丙交酯的立体选择性开环聚合（ROP）模型。手性催化剂控制的对映体位点控制机制表现出不同寻常的特征，包括反应路径上的活性位点重组，这增加了复杂性，并且在解决手性催化剂识别挑战时需要加以考虑。