Quantitative prediction of excited-state decay rates for radical anion photocatalysts

Abstract

We present a computational approach for predicting key properties of organic radical anions, including excited-state lifetimes and redox potentials. The approach shows good agreement with experimental data and has potential...

Advancing Organic Photoredox Catalysis: Mechanistic Insight through Time-Resolved Spectroscopy

“…Despite the rapid development and potential of organic photoredox reactions, a comprehensive understanding of the fundamental mechanisms driving these reactions has not kept pace. In fact, recent work − has called into question the mechanistic role of reactive organic radicals as synthetic intermediates. Mechanism determination has largely been based on indirect methods, e.g., combining redox potential measurements, bond dissociation energies, spectroelectrochemistry, Stern–Volmer measurements, and changes in reagent concentration and type. − Such measurements can give significant information about individual sections of a reaction but may not provide much information on the critical intermediates.…”