Abstract
The structure of the unique one-dimensional ABX4-type of (C2H5N4)[CdCl3(H2O)] perovskite is composed of the 3-amino-1,2,4-triazolium cation and the one-dimensional anionic [CdCl3(H2O)]nn− chain. The inter-chains voids contain 3-amino-1,2,4-triazolium cations, which balance the charge. The coulombic and van der Waals forces, together with hydrogen-bond interactions, maintain the crystal structure in a non-covalent manner. The Hirshfeld surface analysis aids in quantifying intermolecular interactions, revealing that the H…Cl/Cl…H interaction contributes 52.9% of the crystal packing. The vibrational absorption bonds were identified by infrared spectroscopy. In addition, the material was examined using UV–visible absorption spectroscopy, shows the semiconducting behavior of this compound with relatively low gap energy 2.6 eV, promising for diverse applications especially in solar cells. Furthermore, this compound’s thermal analysis reveals thermal stability until 385 K.
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The authors would like to thank the Deanship of Scientific Research at Shaqra University for supporting this work.
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Mrad, M.H. A new 1-D polymeric chains of (C2H5N4)[CdCl3(H2O)] perovskite: elaboration, structure, surface interaction analysis, vibrational study, and thermal behavior. Chem. Pap. 77, 6397–6407 (2023). https://doi.org/10.1007/s11696-023-02948-4
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DOI: https://doi.org/10.1007/s11696-023-02948-4