Synthesis, Spectroscopic, and DFT Studies of Some Platinum-Pyrazine Carboxamide Derivatives

Abstract

Binary and ternary platinum(II) and platinum(IV) complexes were synthesized using heterocyclic ligands with nitrogen and oxygen donor atoms (2-pyrazinecarboxamide, pyridine, and bipyridine). The complexes were characterized by the analytical and spectroscopic tools such as elemental analysis, mass spectrometry, IR, and 1 H NMR spectroscopy. The complexes showed different structural arrangements. The thermogravimetry analysis of some selected complexes were also investigated. Theoretical calculations based on accurate density functional theory (DFT) approximations were established to verify the optimized structures of the pyrazine carboxamide ligand and two complexes. The global chemical reactivity descriptors were estimated from the energy of the HOMO and LUMO orbitals.