Influence of ligand substitution on uranium-ligand bond energies in the equatorial plane of uranyl compounds

S. Ionov (1) , C. Rabbe (2, 3, 4) , G. Ionova (5)

1 IGIC - N. S. Kurnakov Institute of General and Inorganic Chemistry
2 CEA - Commissariat à l'énergie atomique et aux énergies alternatives
3 CEA-DES (ex-DEN) - CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire)
4 DMRC - Département de recherche sur les procédés pour la mine et le recyclage du combustible
5 Institute of Physical Chemistry of the RAS

In this paper, a general treatment of the chemical mutual influence of ligands in the equatorial plane of the uranyl ion UO$^{2+}_2$ is described. The description based on the use of empirical theoretical methods. In the frame of these methods, the uranium–ligand bond energies in the coordination sphere of the uranyl compounds UO$_2$(NO$_3$)$_2$L$_2$ and UO$_2$(C$_2$O$_4$)$_2$L$_2$ (L is mono- or bidentate ligand) are calculated. Two kinds of regularities are considered and classified: the proportional dependence between the bond energy of L and bond energy of other ligands (“Fid-effect” of the first type) and the reversibly proportional dependence between these bond energies (“Fid-effect” of the second type). The chemical nature of both effects is described. The ligands are classified in the frame of potential application for liquid–liquid extraction.

Domaines: Chimie; Chimie théorique et/ou physique; Chimie de coordination

S. Ionov, C. Rabbe, G. Ionova. Influence of ligand substitution on uranium-ligand bond energies in the equatorial plane of uranyl compounds. Koordinatsionnaya Khimiya / Russian Journal of Coordination Chemistry, 2002, 28 (4), pp.249-258. ⟨10.1023/A:1015267919901⟩. ⟨cea-03239166⟩