Figure 3.

Thermal properties of sequential HTI switch 1. (a) Kinetics of the thermal atropisomerization from A′ to B′ in MeCN at 60 °C followed by chiral HPLC. Experimental data were fitted using a Markov matrix kinetic model (see Supporting Information for details). (b) Kinetics of the thermal atropisomerization from rac-D to rac-C in MeCN-d₃ at −20 °C followed by ¹H NMR spectroscopy (400 MHz, −20 °C). (c) Ground-state energy profile of HTI 1 experimentally determined in MeCN-d₃ solution (red) and calculated at the B3LP/6-311G(d,p) of level of theory with a PCM solvent model for MeCN (blue).