Structure determination and DFT studies of some organoplatinum(II) complexes containing 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole

The current paper describes the formation of a new series of platinum(II) complexes with 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole (btbo) ligand. This study has focused on synthesis methods of some organoplatinum(II) complexes containing btbo ligand from two different reagents under different conditions. Furthermore, a detailed computational study was performed to identify the thermodynamic parameter's behavior. The synthesis was initiated from some complexes including cis-[PtCl₂(dmso)₂], R1, [PtCl₂(COD)], R2 and a benzoxazole derivative as organic ligand 5,7-di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole, (btbo). Implementation of the ¹H NMR analysis procedure on products reveals two isomers' existence. Moreover, the thermodynamic parameters, (ΔH°, ΔG°, ΔS°), were quantified to achieve a more precise understanding. The energy diagram examination and considering the quantified parameters present the stability and instability of each product which is in notable agreement with the experimental data.