Synthesis, characterization, and investigation of some biological properties of pd(ii) complexes with 2-(2-alkoxyformyl hydrazono)butan-3-one oxime ligands and analysis of their structural properties using computational chemistry methods

In this study, Pd(II) complexes of 2-(2-methoxyformyl hydrazono)butan-3-one oxime (H2L1), 2-(2-ethoxyformyl hydrazono)butan-3-one oxime (H2L2) and 2-(2-t-butoxyformyl hydrazono)butan-3-one oxime (H2L3) ligands were synthesized. The structures of ligands and complexes were characterized by elemental analysis, IR, UV-Vis, 1H-NMR, ESI-MS methods. It was determined that the complexes were in monomeric square plane structure. The structures of the H2L3 ligand and [Pd(HL2)2] complex, whose single crystal was obtained, were elucidated by X-ray single crystal diffraction method. Biological properties of all compounds were investigated by DNA cleavage and antioxidant studies. Geometric and chemical reactivity parameters of the obtained complexes were calculated using computational chemistry methods. Natural Bond Orbital Analysis (NBO) study was performed to examine the metal-ligand interaction. The interaction of all complexes with adenine, thymine, guanine and cytosine DNA bases was investigated by computational methods.