Ultrafast Population and Structural Dynamics of a Ni-Bipyridine Photoredox Catalyst Reveal a Significant Deactivation Pathway.

ABSTRACT: The ultrafast excited state pathways and dynamics of Ni^II-bipyridine complexes influence the yield of photochemical processes involved in their catalytic cross-coupling reactions. Here we present ultrafast Ni Kβ X-ray emission spectroscopy (XES) and X-ray solution scattering (XSS) of a Ni^II-bipyridine aryl halide complex, [Ni(^t-Bubpy)(o-tol)Br], to quantify the excited state population dynamics and structural changes of the precatalyst. Due to the local spin-sensitivity of XES, the population dynamics of metal-to-ligand charge transfer (MLCT) and metal-centered (MC) excited states is established. A rapid ground state recovery pathway is newly identified, representing a significant deactivation pathway during photocatalysis. Furthermore, the ps

SUBMITTER: Raj SL 

PROVIDER: S-EPMC12862818 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature