Synergy between experimental and computational approaches to homogeneous photoredox catalysis.
In this Frontiers article, we highlight how state-of-the-art density functional theory calculations can contribute to the field of homogeneous photoredox catalysis. We discuss challenges in the fields and potential solutions to be found at the interface between theory and experiment. The exciting opportunities and insights that can arise through such an interdisciplinary approach are highlighted.
Centre for Theoretical and Computational Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
Taye B
TB
Demissie
Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway. jorn.h.hansen@uit.no.
Jørn H
JH
Hansen