Prediction of Half-Life Time in Thermal Back Reaction of Photochromic Diarylbenzenes by Screening Approach

Abstract

Abstract Diarylbenzenes (DABs) have been developed as a novel family of T-type photochromic compounds. In this work, we endeavored to predict the half-life time (t1/2) in the thermal back reaction of DABs by a screening approach. By the combination of experimental and theoretical studies, we found a good relationship between the t1/2 and the activation energy estimated by theoretical calculations. Our results would provide useful information for the design of DABs having a desired thermal stability.