Local Atomic Structure of Co(II), Ni(II), and Cu(II) Metallochelates Based on Derivatives of 1-Phenyl-3-Methyl-4-Formyl-5-Pyrazolone and 1-Aminobenzimidazoles

A series of new metallochelates of Co(II), Ni(II) and Cu(II) based on 1-phenyl-3-methyl-4-formyl-5-pyrazolone and derivatives of 1-aminobenzimidazoles has been obtained. The composition and spectral properties of which were studied using elemental analysis methods, 1H NMR (for HL) and IR spectroscopy. The parameters of the local atomic environment of metal ions in these complex compounds have been determined by X-ray absorption spectroscopy. The experimental structural data are confirmed by the calculation of optimized structures of complexes using the density functional theory method. The important role of additional donor centers (S, Se) and substituents at the imine nitrogen atom in the aminobenzimidazole fragment of ligands on the geometry of the coordination node of complexes is shown.