New easily functionalisable and highly fluorescent BOPAHY chromophores are synthesised via one pot two step reaction starting from commercially available pyrrole-2-carbaldehydes and respective acyl hydrazides in the presence of BF3·OEt2.
3 March 2025 in Journal of the American Chemical Society
Absorption and emission spectra of 8-(4-dimethylaminophenyl)-1,3,5,7-tetramethyl–BODIPY have been calculated using Coupled Cluster (CC) approaches, Time-Dependent Density Functional Theory (TD-DFT) and a QM-informed MM approach.