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Please use this identifier to cite or link to this item: http://hdl.handle.net/10651/50908

Title: Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O
Author(s): BelhajSalah, S.
Said Mohammed Abdelbaky, Mohammed
García-Granda, Santiago
Essalah, K.
Ben Nasr, C.
Mrad, M.L.
Issue date: 2018
Publisher version: http://dx.doi.org/10.1016/j.molstruc.2017.09.098
Citation: Journal of Molecular Structure, 1152, p. 276-286 (2018); doi:10.1016/j.molstruc.2017.09.098
Format extent: p. 276-286
Abstract: A novel hybrid compound, bis(4-methylanilinium)hexachlorostannate(IV) monohydrate, formulated as (C7H10N)2[SnCl6]·H2O, has been prepared and characterized by powder and single crystal X-ray diffraction (XRD), Hirshfeld surface analysis, infrared spectroscopy (IR), optical study, differential thermal analysis(DTA) and X-ray photoelectron spectroscopy analysis (XPS). The title compound crystallizes in the monoclinic space group P21/c with a = 13.093(1)Å, b =7.093(6)Å, c =24.152(2)Å, β =98.536(4)⁰ and V =2218.4(4) Å3. Their crystal structure exhibits alternating inorganic layers parallel to the (ab) plane at z= n/2.The different entities, [SnCl6]2-, organic cations and water molecules, are connected via hydrogen bonds to form a three-dimensional network. The powder XRD data confirms the phase purity of the crystalline sample. The intermolecular interactions were investigated by Hirshfeld surfaces. The vibrational absorption bands were identified by IR spectroscopy and have been discussed. The optical properties of the crystal were studied by using optical absorption, UV–visible absorption and photoluminescence spectroscopy studies. The compound was also characterized by DTA to determine its thermal behavior with respect to the temperature. Finally, XPS technique is reported for analyzing the surface chemistry of this compound.
URI: http://hdl.handle.net/10651/50908
Sponsored: Financial support from Spanish MINECO (MAT2016-78155-C2-1-R, MAT2013-40950-R, and FPI grant BES-2011-046948 to MSM.A.), Gobierno del Principado de Asturias, Spain (GRUPIN14-060), FEDER, and the Secretary of State for Scientific Research and Technology of Tunisia, are acknowledged
Project id.: MINECO/MAT2016-78155-C2-1-R
MINECO/MAT2013-40950-R
MINECO/BES-2011-046948
Gobierno del Principado de Asturias/GRUPIN14-060
Appears in Collections:Química Física y Analítica
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