Avoiding Photocyclized Degradation of Electrochromic Materials Based on Quantum Chemical Molecular Design

J Phys Chem Lett. 2024 Aug 15;15(32):8205-8210. doi: 10.1021/acs.jpclett.4c01783. Epub 2024 Aug 5.

Abstract

Suppressing the photodegradation of organic electronic materials is crucial for their device applications. This study proposes a method to mitigate the photodegradation. With focus on the molecular design of triphenylamine derivatives commonly used in organic electronics, it was demonstrated that spin distributions of the derivatives would be a good quantum descriptor for predicting the photocyclization resistance to not give carbazole derivatives.