https://bluejeans.com/4715380841
Abstract:
Several high-throughput optical screening methods for the photocatalytic activity of a structurally diverse library of cationic iridium(III) complexes ([Ir(C^N)2N^N)]+), where C^N is a cyclometalating ligand and N^N an ancillary ligand, were developed. These low-cost colorimetric assays allow for real-time monitoring of photo-induced electron transfer processes involved in hydrogen evolution and organic photoredox reactions. The infra-structure we have built is useful for generating large standardized experimental datasets. The obtained rate constants of the [Ir(C^N)2N^N)]+ photocatalysts are then correlated to calculated chemical descriptors such as density functional theory (DFT)-derived features to help establish structure-activity relationships. This data-driven approach to chemical research is necessary to accelerate discovery of faster and chemo-selective catalysts.