Synthesis, crystal structure, physico-chemical characterization and theoretical study of a new Pb(II) complex [C10H22N2]3·PbCl5·3Cl·3H2O
作者： I. Feddaoui , Mohammed S.M. Abdelbaky , Santiago García-Granda , K. Essalah , C. Ben Nasr
DOI: 10.1016/J.MOLSTRUC.2019.02.111
关键词: Hydrogen bond 、 Chemistry 、 Hybrid material 、 Intermolecular force 、 Spectroscopy 、 Physical chemistry 、 Photoluminescence 、 Thermal analysis 、 Infrared spectroscopy 、 Crystal structure
摘要: Abstract A novel hybrid material, [C10H22N2]3·PbCl5·3Cl·3H2O, has been synthesized and its structure was determined by single-crystal X-ray diffraction. In the atomic arrangement, different entities are held together through N H⋯Cl, O H⋯Cl H⋯O hydrogen bonds to form a three-dimensional network. Intermolecular interactions were investigated Hirshfeld surfaces. The powder XRD data confirms phase purity of crystalline sample. resulting IR spectrum calculated DFT/B3LYP/LanL2DZ method, is similar experimental allowing good correlation between theoretical wavenumbers. optical properties in UV–visible region have explored absorption. photoluminescence (PL) spectroscopy, which at room temperature, exhibited one emission 426 nm. Thermal analysis discloses transition 435 K decomposition sample starts from 554 K.
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