Synthesis, photophysical properties and DFT studies of pyrrolo[1,2‐a]quinoxaline hosted novel hole transporting molecules for perovskite solar cell (PSC)

Abstract A set of three molecules DMePPQ, DMeTPQ and DMePyPQ with donor‐ π bridge‐acceptor (D‐π‐A) arrangement have been synthesised using Buchwald–Hartwig coupling amination reaction. The absorption and fluorescence spectra of the compounds were recorded in dichloromethane solvent. All compounds absorption spectra indicate intramolecular charge transfer in the 375–450 nm region. The emission of these compounds is in the range of 450 to 550 nm on excitation with their respective absorption maxima. Electrochemical and thermal property studies are reported for the synthesised compounds. Photovoltaic performance of peroskite solar cell also reported for the molecule DMePyPQ. The experimental photophysical properties are supported with DFT studies.