X-ray, Hirshfeld surfaces analyses, DSC-TGA thermal stability, infrared, and optical properties studies of phenylammonium tetrachlorozincate hydrate (C6H5NH3)2ZnCl4.H2O
| Autor: | L. El Adel, A. Rhandour, Mohamed Saadi, A. Ouasri, L. El Ammari |
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| Rok vydání: | 2021 |
| Předmět: |
Materials science
Hydrogen bond Infrared spectroscopy 02 engineering and technology Crystal structure Triclinic crystal system 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences Electronic Optical and Magnetic Materials Inorganic Chemistry Crystal Crystallography X-ray crystallography Materials Chemistry Ceramics and Composites Molecule Physical and Theoretical Chemistry 0210 nano-technology Hydrate |
| Zdroj: | Journal of Solid State Chemistry. 300:122280 |
| ISSN: | 0022-4596 |
| Popis: | This paper reports the synthesis, crystal structure reinvestigation at 296 K, Hirshfeld surfaces, DSC, TG-dTG, Infrared, and UV studies of (C6H5NH3)2ZnCl4.H2O, which crystalized in the triclinic space group P-1 [Z = 2, a = 7.575(3) A, b = 9.894(3) A, c = 13.101(4) A, α = 95.903(13)°, β = 102.408(14)° and γ = 111.659(13)°]. The crystal structure consists of two cations C6H5NH3+ linked to a distorted ZnCl42− tetrahedron anion, together linked to the water molecule via hydrogen bonds of N-H⋯Cl, N-H⋯O and O-HW···Cl types. The ZnCl42− tetrahedra and H2O molecules form an infinite two-dimensional layer parallel to (0 0 2) plan between the organic sheets. The powder and single-crystal X-ray analyses confirm the pure phase of the synthetized compound. The Hirshfeld surfaces and fingerprint plots, used to analyse quantitatively the interactions in the crystal structure, showed that Cl⋯H/H⋯Cl contacts due to O-H⋯Cl and N-H⋯Cl hydrogen bonding are the major contributor in the total crystal packing surface of (C6H5NH3)2ZnCl4.H2O. The DSC-TGA analyses showed that the compound dehydration made at around 80 °C, gives an anhydrous compound thermally stable between 80 °C and 120 °C. The anhydrous compound decomposition process is predicted, and confirmed by Infrared spectra at various temperatures. The observed bands are assigned and discussed based on the theoretical analyses; the non-fundamental bands resulted in the formation of hydrogen bonding are assigned. The photoluminescence spectra investigated at room temperature showed a red emission line at 2.60 eV, which may be associated with radiative recombination of exciton confined within the ZnCl42−. This suggests potential applications for this compound as UV detection and optical materials. |
| Databáze: | OpenAIRE |
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