Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np<sup>II</sup>[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>}<sup>1–</sup>

Jing Su, Cory J. Windorff, Enrique R. Batista, William J. Evans, Andrew J. Gaunt, Michael T. Janicke, Stosh A. Kozimor, Brian L. Scott, David H. Woen, Ping Yang

Journal of the American Chemical Society · 2018 · 107 citations · 17 references

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Abstract

We report a new formal oxidation state for neptunium in a crystallographically characterizable molecular complex, namely Np2+ in [K(crypt)][NpIICp″3] [crypt = 2.2.2-cryptand, Cp″ = C5H3(SiMe3)2]. Density functional theory calculations indicate that the ground state electronic configuration of the Np2+ ion in the complex is 5f46d1.

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