Fig. 5: Control experiments and DFT calculations.

A Control experiments of acrylate 1 or benzylidenemalononitrile with dioxane, DME, and PEG using iridium or iron catalysis. B Proposed mechanism for the photo-induced C− H Bond functionalization. C Frontier molecular orbital analysis. D The key transition states of dioxane and diglyme in the Ir-catalyzed cycle.