Computational Mechanistic Analysis of Olefin Formation in Ketyl Radical-Mediated Photoexcited Palladium Catalysis.
Olefin formation in palladium-catalyzed reactions is commonly rationalized by β-hydride elimination. However, under photoexcited conditions, palladium intermediates can differ substantially from those formed under thermal conditions, raising questions about the operative hydrogen removal pathway. In this study, we perf...