Fig. 4: Energy profile of the elementary reactions in ECT-ROP of EO.
From: Dispersity-controlled ring-opening polymerization of epoxide
Each energy and structure are acquired by DFT calculation including propagation (red lines) and chain transfer via transesterification on TFA (blue lines) with the optimized 3D structures of the main transition states. The inhibited transesterification on regular carboxylic ester (gray lines) is shown for comparison, and a matching zone for Rp and Rt is shown as a light purple area.
