4.6 Article

Synthesis, XRD, Hirshfeld surface analysis, DFT studies, cytotoxicity and anticancer activity of di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex

期刊

JOURNAL OF MOLECULAR STRUCTURE
卷 1267, 期 -, 页码 -

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ELSEVIER
DOI: 10.1016/j.molstruc.2022.133542

关键词

Tin complex synthesis; Single crystal; Density functional theory; Cytotoxicity; Hydrogen bonding

资金

  1. Taif University, Taif, Saudi Arabia [TURSP-2020/220]
  2. Taif University, Taif, Saudi Arabia

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The complex di(m-chlorobenzyl)(dichloro)(4,7-diphenyl-1,10-phenanthroline) tin(IV) complex (B2) was synthesized and characterized. The structure of B2 was determined to be regular octahedral geometry through X-ray study. The complex exhibited excellent cytotoxicity and anticancer activity against Vero and Hela cell lines.
The complex di(m-chlorobenzyl) (dichloro) (4, 7-diphenyl-1,10-phenanthroline) tin (IV) complex ( B2) was synthesized and characterized by FT-IR, FT-Raman, H-1 NMR, C-13 NMR, 119Sn NMR, and XRD. The above-synthesized complex compared with the theoretical method using Gaussian software at DFT/B3LYP/Lanl2DZ. Wavefunctiona based properties like ELF and LOL helped to identify the electron distributions. X-ray study confirmed that compound crystallizes in monoclinic space group with P2(1)/c,. The crystal structure of the B2 shows a regular octahedral geometry.Hydrogen bond formation is observed through chlorine anion via C -H-Cl. The complex showed excellent cytotoxicity and anticancer activity against Vero and Hela cell line when compared to the standard drug cisplatin.(c) 2022 Elsevier B.V. All rights reserved.

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