Synthesis, XRD, spectral, structural, quantum mechanical and anticancer studies of di(p-chlorobenzyl) (dibromo) (1, 10-phenanthroline) tin (IV) complex

• Published in: Journal of the Indian Chemical Society 2022-07, Vol.99 (7), p.100540, Article 100540
• Main Authors: Latha, A., Elangovan, N., Manoj, K.P., Keerthi, M., Balasubramani, K., Sowrirajan, S., Chandrasekar, S., Thomas, Renjith
• Format: Article
• Language: English
• Subjects: Anticancer activity; DFT; Tim complex; XRD
• ISSN: 0019-4522
• DOI: 10.1016/j.jics.2022.100540

The tin complex di (p-chlorobenzyl) (dibromo) (1, 10-phenanthroline) tin (IV) (4CLBR) was synthesised and subjected to characterization using spectroscopic techniques like FT-IR, Raman, 1HNMR, 13CNMR, 119SnNMR, and crystallography. DFT method was used to compare theoretical and experimental results, and the theoretical method was done by the B3LYP/LanL2DZ. The VEDA programme package was used to design the entire vibrational spectral investigation. The Multiwfn software package was used to calculate the quantum chemical equations. A 2D network (C–H–Cl (C–Cl–H-benzyl, interactions forming a 2D network) and hydrogen bonding formed by bromine atoms such as C–H–Br (Sn–Br–H-Phen) were confirmed by X-rays as the complex and crystallisation. The crystal structure of the complex 4CLBR reveals that the tin atom is in a regular octahedral configuration. At the end of the day, anticancer activity has been investigated in this complex using a variety of cell lines, including PC3 (human prostate cancer cell), MCF7 (breast cancer cell), U937 (blood cancer cell), and U87 (brain cancer cell). The anticancer activity results clearly show that the complex 4CLBR and cisplatin have the same anticancer activity at concentrations of 15.6 g/ml against the U87 cell line. [Display omitted] •Synthesis of a new tin complex from 1,10-phenenthroline and 4-chloro benzyl bromide.•Detailed structural analysis like FTIR, FT-Raman, 1HNMR, 13CNMR, 119Sn NMR and XRD characterization performed vibrational frequency assignment and potential energy distribution reported.•Computational studies and wave function studies also reported.•Anticancer studies reported with used four different cell lines like MCF7, PC3, U87 and U937 and excellent anticancer activity against U87 cell line.