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

C. Bhaskar; N. Elangovan; S. Sowrirajan; S. Chandrasekar; Suliman Yousef Alomar; Asad Nawaz

Results in Chemistry (Dec 2023)

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

C. Bhaskar,
N. Elangovan,
S. Sowrirajan,
S. Chandrasekar,
Suliman Yousef Alomar,
Asad Nawaz

Affiliations

C. Bhaskar: Department of Chemistry, V.S.B Engineering College, Affiliated to Anna University, Karur, Tami Nadu 639111, India
N. Elangovan: Department of Chemistry, Arignar Anna Government Arts College, Musiri, Tiruchirappalli, Tamilnadu, Affiliated to Bharathidasan University, 621211, India; Research Centre for Computational and Theoretical Chemistry, Anjalam, Musiri, Tiruchirappalli, Tamilnadu 621208, India; Corresponding authors at: Department of Chemistry, Arignar Anna Government Arts College, Musiri, Tiruchirappalli, Tamilnadu, Affiliated to Bharathidasan University, 621211, India (N. Elangovan).
S. Sowrirajan: Department of Chemistry, Arignar Anna Government Arts College, Musiri, Tiruchirappalli, Tamilnadu, Affiliated to Bharathidasan University, 621211, India
S. Chandrasekar: Department of Chemistry, Arignar Anna Government Arts College, Musiri, Tiruchirappalli, Tamilnadu, Affiliated to Bharathidasan University, 621211, India; Corresponding authors at: Department of Chemistry, Arignar Anna Government Arts College, Musiri, Tiruchirappalli, Tamilnadu, Affiliated to Bharathidasan University, 621211, India (N. Elangovan).
Suliman Yousef Alomar: Department of Zoology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
Asad Nawaz: Institute for Advanced Study, Shenzhen University, Shenzhen 518060, China

Journal volume & issue: Vol. 6
p. 101036

Abstract

Read online

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.

Published in Results in Chemistry

ISSN: 2211-7156 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Chemistry
Website: https://www.journals.elsevier.com/results-in-chemistry/

About the journal

Abstract

Keywords