Fig. 4: Potential energy analysis of atropisomer conversion corresponding to OC-4.
From: Controlled interconversion of macrocyclic atropisomers via defined intermediates
Potential energy diagram for the conversion of C2v-OC-4 to C4v-OC-4 from the time-dependent 1H NMR spectral studies of C2v-OC-4 (5.00 × 10−3 M) in TCE-d2 at 393 K. The transition states, as well as those for C1-OC-4 and C2-OC-4, are listed based on the theoretical calculations.
