biostudies-literatureUnknown25(8)Dhokale BMechanochemical coupling reactions are typically single-site events that are thermally driven, require an inert atmosphere, and are kinetically slow under ball milling conditions. Here, we demonstrate the rapid 4-fold single-pot mechanochemical C-N coupling of tetrabromopyrene and phenothiazine leading to a novel pyrene-phenothiazine (PYR-PTZ) molecule that is shown to be an effective hole-transport material (HTM) in a perovskite solar cell (PSC). When compared to previously reported mechanochemical C-N coupling reactions, the mechanosynthesis of PYR-PTZ is achieved in just 99 min of ball-milling under ambient conditions without a glovebox or the need for external heating. This represents an advance over previous methods for the synthesis of HTMs and opens new avenues for exploring the disCrystal growth & design2402-2408https://www.ebi.ac.uk/biostudies/studies/S-EPMC12006959biostudies-literatureMechanochemistry for the Sustainable Synthesis of Organic Hole Transport Materials in Perovskite Solar Cells.PMC12006959Eyovge CAli WASusarrey-Arce ADhokale BGardeniers HAlkhidir TLi LShetty DMohamed SManagutti PBHernandez HHYounes ZWinczewski JfalseMechanochemistry for the Sustainable Synthesis of Organic Hole Transport Materials in Perovskite Solar Cells.Mechanochemical coupling reactions are typically single-site events that are thermally driven, require an inert atmosphere, and are kinetically slow under ball milling conditions. Here, we demonstrate the rapid 4-fold single-pot mechanochemical C-N coupling of tetrabromopyrene and phenothiazine leading to a novel pyrene-phenothiazine (PYR-PTZ) molecule that is shown to be an effective hole-transport material (HTM) in a perovskite solar cell (PSC). When compared to previously reported mechanochemical C-N coupling reactions, the mechanosynthesis of PYR-PTZ is achieved in just 99 min of ball-milling under ambient conditions without a glovebox or the need for external heating. This represents an advance over previous methods for the synthesis of HTMs and opens new avenues for exploring the dis2025-01-01T00:00:00Z2025 Apr2025-07-03T03:04:32.069Z2025-07-03T03:04:32.069ZS-EPMC120069594025675810.1021/acs.cgd.4c01523