Elaboration, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new inorganic-organic hybrid salt [C4H12N2](4)center dot Pb2Cl11 center dot Cl center dot 4H(2)O

摘要

A new organic-inorganic hybrid salt [C4H12N2](4)center dot Pb2Cl11 center dot Cl center dot 4H(2)O, 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) angstrom and V = 2003.9 (17) angstrom(3).The structure of the title compound can be described by organicinorganic layers extending parallel to the (a, b) plane at z = 0 and z = 1/2. 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. (C) 2020 Elsevier B.V. All rights reserved.