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Synthesis and Characterization of the First 2D Neptunyl Structure Stabilized by Side-on Cation-Cation Interactions

Vlaisavljevich, B.; Miró, P.; Ma, D.; Sigmon, G. E.; Burns, P. C.; Cramer, C. J.; Gagliardi, L.
Chem. Eur. J. 2013, 19, 2937 (doi:10.1002/chem.201204149).

Cation-cation interaction: A new 2D 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.