Predictive, Data-Driven Design of Red-Light Photoredox Catalysts for C─Heteroatom Bond Formation.

ABSTRACT: Photocatalysis is a powerful tool for the synthesis of organic molecules, yet its widespread application is hindered by the dependence on high-energy light sources and expensive metal-based catalysts, which can limit scalability and environmental sustainability. In this study, we present a modular design strategy for organic dyes engineered for efficient red-light absorption, enabling photocatalytic reactions under low-energy irradiation. Our findings establish a clear relationship between the oxidation potential of the photocatalyst and the nature of its donor moiety, as well as between the reduction potential and the electronic characteristics of its core structure. Moreover, we demonstrate that the E_0-0 energy of a photocatalyst can be predicted via multivariate linear regres

SUBMITTER: Gizatullin A 

PROVIDER: S-EPMC12929924 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature