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

A. A. Komissarov; V. V. Korochentsev; V. I. Vovna

doi:10.1134/S0022476617060063

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

作者: Komissarov A.A.¹, Korochentsev V.V.¹, Vovna V.I.¹
隶属关系:
1. Far Eastern Federal University
期: 卷 58, 编号 6 (2017)
页面: 1101-1111
栏目: Article
URL: https://journals.rcsi.science/0022-4766/article/view/161548
DOI: https://doi.org/10.1134/S0022476617060063
ID: 161548

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详细

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.