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Keywords:

  • actinides;
  • cations;
  • density functional calculations;
  • neptunium
Thumbnail image of graphical abstract

Cation–cation interaction: A new 2 D sheet structure containing a side-on cation–cation interaction (CCI) has been synthesized and characterized (see figure). Unprecedentedly, no chelating ligands between the cations are present. The nature of the side-on interaction and ligand effects has been explored by using a variety of quantum chemical methods. The spin–orbit-coupled ground state mixes singlet, triplet, and quintet-pure spin states.