Bis diallyl dithiocarbamate Pt(II) complex: synthesis, characterization, thermal decomposition studies, and experimental and theoretical studies on its crystal structure

Abstract

Platinum dithiocarbamate (DTC) complex has been synthesized from the ligand diallyl DTC, and its structure was established from elemental analysis, IR, NMR, and single-crystal X-ray analyses to be Pt[S2CN(C3H5)2]2. The thermal properties were studied using a simultaneous thermal analyzer, and showed two main steps of decomposition. The structural geometry analysis was determined using X-ray diffraction and Density Functional Theory (DFT) calculations. The single-crystal X-ray analysis showed that the complex has a square planar geometry. The diallyl groups of the DTC ligands are not symmetrical making the complex non-centrosymmetric, and the complexes are stacked with intermolecular ring–ring interactions. The DFT calculations were performed to obtain the theoretical information and compared with the experimental data obtained from the experimental crystal structure.