Electronic structure of adducts of Ni(II) and Co(II) bis-acetylacetonates with phenanthroline

The effect of an additional aromatic ligand on the electronic structure of nickel(II) and cobalt(II) bisacetylacetonates is studied by XPS and DFT (B3LYP/def2-TZVPP). An analysis of atomic charges, the geometry of compounds, the electron density distribution, and the interaction of molecular orbitals of complex components allows the conclusion about the ionic nature of the bonding between the neutral ligand and the bis-chelate.