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Elaboration, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new inorganic-organic hybrid salt [C4H12N2]4·Pb2Cl11·Cl·4H2O

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Abstract A new organic–inorganic hybrid salt[C4H12N2]4·Pb2Cl11·Cl·4H2O, containing [Pb2Cl11]7−anions, has been synthesized and characterized by several techniques. X-ray diffraction study shows that the compound crystallizes in the orthorhombic system and Pnnm… Click to show full abstract

Abstract A new organic–inorganic hybrid salt[C4H12N2]4·Pb2Cl11·Cl·4H2O, containing [Pb2Cl11]7−anions, has been synthesized and characterized by several techniques. X-ray diffraction study shows that the compound crystallizes in the orthorhombic system and Pnnm space group with a = 8.210 (5), b = 25.782 (5), c = 9.467 (5) A and V = 2003.9 (17) A3.The structure of the title compound can be described by organic-inorganic layers extending parallel to the (a, b) plane at z = 0 and z = ½. These layers are built up by means of hydrogen bonds forming a three-dimensional network. Intermolecular interactions were investigated by Hirshfeld surfaces. Scanning electronic microscopy (SEM) and energy-dispersive X-ray (EDX) were carried out. Vibrational assignments of the title compound are discussed by FT-IR and FT-Raman spectroscopic studies and DFT calculations allowed the attribution of the spectral bands. The optical study was also investigated by UV–Vis absorption and photoluminescence spectroscopy. The thermal behavior was studied by TGA/DTA analysis.

Keywords: hybrid salt; salt c4h12n2; study; structure; c4h12n2 pb2cl11; pb2cl11 4h2o

Journal Title: Journal of Molecular Structure
Year Published: 2020

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