Crystal structure, Hirshfeld surface analysis, and computational study of tin (IV) complex: Insights from spectroscopic, anticancer and cytotoxic properties

Autor: C. Bhaskar, N. Elangovan, S. Sowrirajan, S. Chandrasekar, Suliman Yousef Alomar, Asad Nawaz
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Results in Chemistry, Vol 6, Iss , Pp 101036- (2023)
Druh dokumentu: article
ISSN: 2211-7156
DOI: 10.1016/j.rechem.2023.101036
Popis: The complex di(p-methylbenzyl) (dibromo)(4,7-diphenyl-1,10-phenanthroline) tin (IV) complex (B1) was synthesized and characterized. For the theoretical investigation, we used DFT. With the help of the Multiwfn software package, topological analysis and RDG were calculated. A very low energy gap (2.3 eV) was observed in the HOMO-LUMO analysis. Nucleophilic and electrophilic attacking sites are confirmed using the MEP study. In a single crystal, analysis confirmed the octahedral shape and monoclinic space group. The intramolecular hydrogen was formed through the C—H—Br. The tin atom is in a uniform octahedral shape, which can be seen in the XRD of the complex B1. The Vero and Hela cell lines are used for anticancer and cytotoxic activities. Our synthesized complex shows better activity against Vero and Hela cell lines when compared to cisplatin.
Databáze: Directory of Open Access Journals