Structure-Property Relationships for Tailoring Phenoxazines as Reducing Photoredox Catalysts.

ABSTRACT: Through the study of structure-property relationships using a combination of experimental and computational analyses, a number of phenoxazine derivatives have been developed as visible light absorbing, organic photoredox catalysts (PCs) with excited state reduction potentials rivaling those of highly reducing transition metal PCs. Time-dependent density functional theory (TD-DFT) computational modeling of the photoexcitation of N-aryl and core modified phenoxazines guided the design of PCs with absorption profiles in the visible regime. In accordance with our previous work with N, N-diaryl dihydrophenazines, characterization of noncore modified N-aryl phenoxazines in the excited state demonstrated that the nature of the N-aryl substituent dictates the ability of the PC to access a charge t

SUBMITTER: McCarthy BG 

PROVIDER: S-EPMC5920687 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature