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Cyanide (CN−) is one of the most hazardous ions to humans and the environment. Therefore, sensitive, and selective sensors for CN− monitoring are highly required. A novel chemosensor based on naphthalene flanked diketopyrrolopyrrole dye (TBC-DPPN) is synthesized for the direct detection of CN− in water samples by naked eye and vibrational spectroscopy (UV–Vis and fluorescence). The electron deficient carbonyl group of the lactam ring of TBC-DPPN undergoes a nucleophilic attack by the CN− thus causing the yellow color of the dye turn to colorless, and fluorescence of the dye at 527 nm to turn-off. The mechanism of CN− sensing by the TBC-DPPN sensor is confirmed by spectral measurements and density functional theory (DFT) calculations. The TBC-DPPN sensor is utilized to determine the CN− by colorimetric and fluorescence methods in water down to 0.5 and 0.05 µm, respectively, which is well below the cut off limit of 1.9 µm that is recommended by the World Health Organization (WHO). Therefore, TBC-DPPN can act as dual channel sensor with high selectivity and sensitivity for the determination of CN− in water.

The versatile nature of organic conjugated materials renders their flawless integration into a diverse family of optoelectronic devices with light-harvesting, photodetection, or light-emitting capabilities. Classes of materials that offer the possibilities of two or more distinct optoelectronic functions are particularly attractive as they enable smart applications while providing the benefits of the ease of fabrication using low-cost processes. Here, we develop a novel, multi-purpose conjugated small molecule by combining boron-azadipyrromethene (aza-BODIPY) as electron acceptor with triphenylamine (TPA) as end-capping donor units. The implemented donor–acceptor–donor (D–A–D) configuration, in the form of TPA-azaBODIPY-TPA, preserves ideal charge transfer characteristics with appropriate excitation energy levels, with the additional ability to be used as either a charge transporting interlayer or light-sensing semiconducting layer in optoelectronic devices. To demonstrate its versatility, we first show that TPA-azaBODIPY-TPA can act as an excellent hole transport layer in methylammonium lead triiodide (MAPbI3)-based perovskite solar cells with measured power conversion efficiencies exceeding 17%, outperforming control solar cells with PEDOT:PSS by nearly 60%. Furthermore, the optical bandgap of 1.49 eV is shown to provide significant photodetection in the wavelength range of up to 800 nm where TPA-azaBODIPY-TPA functions as donor in near-infrared organic photodetectors (OPDs) composed of fullerene derivatives. Overall, the established versatility of TPA-azaBODIPY-TPA, combined with its robust thermal stability as well as excellent solubility and processability, provides a new guide for developing highly efficient multi-purpose electronic materials for the next-generation of smart optoelectronic devices. (Figure presented.).