Synthesis, crystal structure, infrared spectroscopy, thermal analysis and Hirshfeld surface analysis of a new hemihydrate of [Zn (H2O) 6][{(CH2)6N4}ZnCl3]2·0.5H2O
| Autor: | Basma Trojette, Milagros Tomás, Zeineb Basdouri, Larry R. Falvello, Mohsen Graia |
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| Přispěvatelé: | Ministerio de Economía y Competitividad (España), European Commission, Diputación General de Aragón, Ministère de l’Enseignement Supérieur et de la Recherche Scientifique (Tunisie) |
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Thermogravimetric analysis
010405 organic chemistry Organic Chemistry Infrared spectroscopy Crystal structure 010402 general chemistry 01 natural sciences 0104 chemical sciences Analytical Chemistry X-ray diffraction Inorganic Chemistry Crystallography chemistry.chemical_compound Synthesis chemistry FTIR Differential thermal analysis X-ray crystallography Hybrid compound Hirshfeld surface analysis Thermal analysis Hexamethylenetetramine Hydrate Spectroscopy |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 2015-6820 |
| Popis: | The new organic–inorganic hybrid material [Zn(H2O)6][{(CH2)6N4}ZnCl3]2·0.5H2O, is the second hydrate in this system, the first having been the hexahydrate. The new solid was prepared by slow evaporation of a solution of the reactants at room temperature and was structurally characterized by X-ray crystallography. This compound crystallizes in the trigonal system, space group P-3c1 with a = 9.8303(2)Å, c = 17.5460(2)Å, V = 1468.38(4)Å3 and with Z = 2. The complex was characterized by FT-IR, thermogravimetric analysis (TGA), differential thermal analysis (DTA) and with a detailed analysis of Hirshfeld surfaces and fingerprint plots. The structural unit of the title compound consists of a [ZnII(H2O)6]2+ cation, two [ZnIICl3(hmt)]- anions and half of a water molecule, partially occupied and disordered [hmt is hexamethylenetetramine, (CH2)6N4]. Crystal packing is mediated by OH⋯N and OH⋯Cl hydrogen bonds between the anions and cations, and to a lesser extent by OH⋯O contacts, which are present only part of the time as a consequence of the partial occupancy of the isolated water molecules. The relationship between the packing in the new structure and that of the previous hexahydrate is described. Support was provided by the Ministerio de Economía y Competitividad, Spain, under Grant MAT2015-68200-C2-1-P and with European FEDER funds. Funding from the Diputación General de Aragón (ProjectM4, E16) is gratefully acknowledged. Funding from the Ministry of Higher Education and Scientific Research of Tunisia is gratefully acknowledged. |
| Databáze: | OpenAIRE |
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