The origin of [2+2] photocycloaddition reaction in the solid state driving ACQ-to-AIE transformation

Abstract

The PD reaction mechanism of t -2FSBO and the AIE properties of the two resultant isomers, t -2FPCBO and c -2FPCBO, in both different environments are theoretically investigated using PCM and QM/MM models coupled with the TVCF-based rate theory.