DFT-Guided Synthesis, Electrochemical, and Photophysical Properties of Ruthenium(II) Polypyridyl Complexes Featuring Flavin-Inspired π-Extended Ligands.

ABSTRACT: Light-driven electron transfer and subsequent multielectron storage is among the key aspects of photochemical reactions in artificial photosynthesis and molecular electronics. Following our previously introduced design and characterization of Ru(II)-based photosensitizers, four new Ru complexes with π-extended ligands featuring a flavin-inspired subunit were investigated via density functional theory in order to evaluate their electrochemical properties ahead of a time and resource-demanding synthesis. Two complexes, Ru-Me₂allox^B and Ru-Me₂deazaallox^B, with a bent ligand architecture, were identified as promising candidates for application in light-driven charge accumulation and subsequently synthesized. The electrochemical characterization of Ru

SUBMITTER: Hagmeyer N 

PROVIDER: S-EPMC12202847 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature