Design and synthesis of di(o-chlorobenzyl) (dibromo) (1, 10-phenanthroline) tin (IV) complex and their crystal structure, comparative spectral analysis, and anticancer, cytotoxicity activity analysis

Abstract

Through the effective synthesis of di(m-methyl benzyl)tin bromide and di(o-chlorobenzyl) tin dichloride, a novel di(o-chlorobenzyl) (dibromo) (1, 10-phenanthroline) tin (IV) complex (SA2) has been successfully synthesized. Single crystal X-ray diffraction (SC XRD), nuclear magnetic resonance (NMR), and ¹¹⁹Sn NMR were used to identify the synthesized compound structure. The theoretical comparison of the synthesized tin complex SA2 agrees well with the theoretically determined computational data. According to the SC XRD analysis, the synthesized SA2 complex consists of two nitrogen (N) atoms and two bromide (Br) atoms located in an equatorial position, an axial position for the B atoms linked to two methyl (CH₂) carbon atoms, and Sn present in a central position. It has been found that the strong binding interaction between the Sn–CH and Sn–N bonds, with Sn–Br having a calculated distance to be about 2.68 Å and 2.67 Å, and Sn–N having a distance of 2.32 Å and 2.34 Å, respectively. The functional group investigations have been determined in the experimental and theoretical models using the FTIR and Raman spectroscopy analyses, respectively. The frontier molecular orbital (FMO) study evidenced that the HOMO and LUMO band gap value of about 0.12 eV. The molecular electrostatic potential (MEP) analysis results validate the locations of electrophilic and nucleophilic attacks. The in vitro anticancer study and cytotoxicity experimental results suggested that the compound SA2 has potential anticancer activity against HeLa and Vero cell lines than the tested control anticancer drug, such as cisplatin.