Synthesis, spectral, DFT and anticancer studies on bis(N-(3-methoxybenzyl)-N-(pyridin-3-ylmethyl)dithiocarbamato-S,S’)M(II) (M= Pd, Pt)

We reported synthesis of bis(N-(3-methoxybenzyl)-N-(pyridin-3-ylmethyl)dithiocarbamato-S,S’)M(II) (where M(II) = palladium(II) (1), platinum(II) (2)). Both the complexes were characterized by elemental analysis, FTIR, UV–visible, ¹H and ¹³C NMR spectroscopy. Based on FTIR spectral studies, bidentate coordination of dithiocarbamate ligand was proposed for both complexes. UV–visible spectral data confirm the formation of square planar complexes. The structure properties, frontier molecular orbital (FMO), molecular electrostatic potential (MEP), chemical reactivities and Mulliken charges were investigated using density functional theory (DFT)/B3LYP methods with 6-31+G (d, p) basis sets and LanL2DZ for light atoms and heavy atoms, respectively. FMO and Mulliken charges recognize the chemical active sites of 1 and 2 responsible for its chemical activity. In vitro anticancer activity of complexes 1 and 2 were analyzed on MCF-7 by MTT assay method. Results show that platinum complex 2 has higher activity compared to these of palladium complex 1.