Structure, spectroscopic measurement, thermal studies and optical properties of a new non-centrosymmetric hybrid compound

Publication date: 15 December 2019Source: Journal of Molecular Structure, Volume 1198Author(s): Ameni Sakka, Aycha Jellali, Besma Hamdi, Mohammed S.M. Abdelbaky, Houcine Naïli, Santiago García-Granda, Ridha ZouariAbstractA novel inorganic-organic hybrid material of bis (5,7-dichloro-8-hydroxyquinolium) tetrachlorozincate (II) dihydrate was crystallized and characterized by IR, Raman, 13C NMR spectroscopy, scanning electron microscopy (SEM) and thermal analyses (TG/DTG/SDTA). The solid-state structures were determined by single crystal X-ray diffraction. The compound was found to crystallizes in the non-centrosymmetric orthorhombic system, space group P212121 with the following cell parameters a = 10.4872(3) Å, b = 13.4464 (5) Å, c = 18.0305 (7) Å, V = 2542.57(15) Ǻ3 and Z = 4, to ensure that our samples are single-phase, the purity of our products was verified by X-Ray Powder Diffraction Analysis, while the composition of our phase was verified by semi-quantitative analysis EDXS. Thermal analysis showed that the complexes decompose in three steps: the structural water was firstly progressively lost, then the neutral ligand of 5,7-dichloro-8-hydroxyquinolium and lastly the second ligand with 4 mol of chlorine in the form of hydrochloric acid. The final phase solid product at 713 °C is zinc oxide. The theoretical calculations were conducted using B3LYP/LanL2DZ basis sets using GAUSSIAN09, for studying the structural parameters, vibrational and non...
Source: Journal of Molecular Structure - Category: Molecular Biology Source Type: research