Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Solvent cage-escape dynamics of bimolecular photoredox products in solution has been investigated computationally through a combination of molecular dynamics simulations and quantum chemical calculations. The present work focuses on the photoinduced oxidation of the organic electron donor dimethylaniline (DMA) by a Fe(III) N-heterocyclic carbene photosensitizer (Fe(III)NHC+) in two different solve
