A new Organic–Inorganic hybrid compound (NH3(CH2)2C6H5)2[SnCl6]: Crystal structure, characterization, Hirshfeld surface analysis, DFT calculation, vibrational properties and biological evaluation
Language
en
Article de revue
This item was published in
Journal of Solid State Chemistry. 2021, vol. 304, p. 122587
Elsevier
English Abstract
In this study, the crystal structure of a new phase of organic–inorganic hybrid (NH3(CH2)2C6H5)2[SnCl6] was resolved at room temperature (monoclinic system), space group (P21/c), with unit cell parameters (a = 7.345(5) ...Read more >
In this study, the crystal structure of a new phase of organic–inorganic hybrid (NH3(CH2)2C6H5)2[SnCl6] was resolved at room temperature (monoclinic system), space group (P21/c), with unit cell parameters (a = 7.345(5) Å, b = 25.667(5) Å, c = 11.971(5) Å), β = 90.106(5)°, volume = 2256.8 (19) Å3 and Z = 4). The asymmetric unit cell consisted of a combination of [SnCl6]2– and two organic + NH3C2H4C6H5 cations. The crystal structure comprised alternating organic and inorganic layers stacked along the b-axis. The isolated octahedra formed a zero-dimensional anionic network. The crystal structure was stabilized by hydrogen bonding. Powder X-ray diffraction confirmed the phase purity. Hirshfeld surface and fingerprint plots elucidated the contribution of the H⋅⋅⋅Cl and H⋅⋅⋅H intermolecular interactions. DFT calculations confirmed the assignment of the Raman bands. Vibrational absorption bands were identified by micro-Raman spectroscopy. The antibacterial performance was investigated. Notably, this new compound was active against all of the tested bacteria.Read less <
English Keywords
X-ray diffraction
Hirshfeld surface
DFT calculation
Micro-Raman spectroscopy
Antibacterial
Origin
Hal imported