Synthesis of oxime containing new ligands and metal complexes

In this study, isonitroso-p-methoxyacetophenone and isonitroso-p-bromoacetophenone were synthesized by the nitrosoloma method using 4'-methoxyacetophenone and 4'-bromoacetophenone as starting materials. New ligands were synthesized by the reaction of the obtained isonitrosoacetophenone derivatives and 2,3-butanedione monoxime with various amines. Mononuclear complexes were synthesized as a result of the reaction of these ligands with Cu(II), Ni(II), Co(II) and Cd(II) metal salts. The synthesized ligands and complexes were elucidated by spectroscopic methods such as 1H-NMR, 13C-NMR, LC-MS/MS, UV-vis and FT-IR. The structural properties of the ligands were determined theoretically using the DFT/B3LYP (Density Functional Method) 6-31G(d,p) basis set. With this method, optimized geometries, HOMO-LUMOs, 1H-NMR, 13C-NMR, FT-IR analysis, UV-vis spectra, molecular electrostatic potential (MEP) maps of the ligands were obtained. Vibration modes were determined by potential energy distribution (PED). When the theoretical results obtained and the experimental results were compared, it was seen that they were in agreement. Drug similarity and biological activity studies on ligands and some complexes were carried out theoretically and the results were evaluated. In-vitro antibacterial testing and molecular docking studies were applied to some synthesized molecules, and their antibacterial activities and docking abilities were determined.