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2 Publikationen

Real space bonding and stability analysis of tetravalent f-element complexes with N-, O-donor ligands

Kloditz, R.; Radoske, T.; Patzschke, M.; Stumpf, T.

Abstract

N-/O-donor ligands are promising complexing ligands for actinides in high-level liquid wastes. Especially the covalency of the An–N/O bonds and a comparison to lanthanides, e.g. Ce, is of interest for these complexes. Thus, the bond character for [M(salen)2] with M = Ce, Th, Pa, U, Np, Pu was investigated. Furthermore the stability of the complexes is compared and correlated with the bonding character.

Keywords: real-space bonding analysis; stability analysis; DFT; actinides; Schiff bases

  • Poster
    16th International Congress of Quantum Chemistry, 18.-23.06.2018, Menton, Frankreich
  • Poster
    Summer School on Modern Wavefunction Methods, 30.09.-05.10.2018, Gelsenkirchen, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27690

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