Photophysical Properties of Benzophenone-Based TADF Emitters in Relation to Their Molecular Structure
Ekin Esme Bas, Pelin Ulukan, Antonio Monari, Vi̇ktorya Avi̇yente, Şaron Çatak
Abstract
indices, have been computed. Along with the donor-acceptor torsion angles and spin-orbit coupling values, these descriptors have been utilized to investigate potential TADF efficiency. Our study has shown that on the one hand, our photophysical/structural descriptors and computational methodologies predict the experimental results quite well, and on the other hand, our extensive benchmark can be useful to pinpoint the most promising functionals and descriptors for the study of benzophenone-based TADF emitters.
Topics & Concepts
BenzophenoneChromophoreAcceptorMaterials scienceExcited stateSinglet statePhotochemistryFluorescenceMolecular orbitalChemistryMoleculePhysicsAtomic physicsOpticsCondensed matter physicsOrganic chemistryOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsPhotochemistry and Electron Transfer Studies