The photophysics of transition metal complexes underlies their potential applications in energy conversion and emergent synthetic methodologies. For example, photoinduced ligand–metal bond homolysis has been implicated as an important elementary step in photoredox catalysis. Recent efforts to elucidate the mechanism of excited state bond homolysis in Ni(Rbpy)(R’Ph)X (R = MeO, t-Bu, H, MeOOC; R’ = CH3, H, OMe, F, CF3; X = Cl, Br) (bpy = 2,2’–bipyridine) complexes are discussed. Detailed complementary experimental and computational investigations illuminate repulsive triplet aryl-to-Ni ligand-to-metal charge transfer (LMCT) excited state potential energy surfaces (PESs) leading to bond homolysis. Structural and electronic control over these PESs is discussed, along with insights gained from temperature- and wavelength-dependent photolysis.

Excited state bond homolysis in nickel photoredox catalysts

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.