ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Stabilization of hexachloride net with mixed Sn(IV) metal complex and 2,3-dimethylanilinium organic cation: elaboration, optical, spectroscopic, computational studies and thermal analysis

Souhir Bel Haj Salah, Sabrine Hermi, Abdullah A. Alotaibi, Khalid M. Alotaibi, Frédéric Lefebvre, Werner Kaminsky, Cherif Ben Nasr, and Mohamed Habib Mrad

Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, Zarzouna, Tunisie

E-mail: m.mrad@su.edu.sa

Received: 22 June 2021  Accepted: 3 November 2021

Abstract:

A new (C₈H₁₂N)₂SnCl₆^.2H₂O was isolated from a slow evaporation reaction at ambient temperature. The title compound crystallizes in the triclinic/P \(\overline{1}\) space group, as determined by X-ray diffraction (XRD). The anions [SnCl₆]²⁻and the H₂O molecules are connected via O–H…Cl H–bonds to build up inorganic sheets extending on the plane (a, b) at z = 0 and the (C₈H₁₂N)⁺ cations are inserted between two successive layers and connect them through multiple H-bonds to make an infinite 3D structure. The intermolecular interactions were fully characterized using the Hirshfeld surface analysis, while the associated 2D fingerprints plots were generated to understand their contribution in building the solid-state architecture within the structure. Powder XRD was used to verify the purity of the crystalline sample phase. FT-IR and CP-MAS ¹³C NMR spectroscopy were used to investigate the vibrational modes and NMR characteristics. Moreover, the optical properties were investigated. The DFT calculations were utilized to explain these findings and determine the gap energy using the HOMO and LUMO energies. In addition, the XPS analysis was reported to analyze the surface chemistry. Finally, the thermal analysis by TG/DTA were performed, to determine its thermal behavior.

Keywords: Sn(IV) complex; X-ray diffraction; Enrichment ratio; FT-IR spectroscopy; Optical property; XPS; DFT calculations

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-021-01974-4

Chemical Papers 76 (3) 1861–1873 (2022)