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Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np[CH(SiMe)]}.

We report a new formal oxidation state for neptunium in a crystallographically characterizable molecular complex, namely Np in [K(crypt)][NpCp″] [crypt = 2.2.2-cryptand, Cp″ = CH(SiMe)]. Density functional theory calculations indicate that the ground state electronic configuration of the Np2+ ion in...

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Published in:Journal of the American Chemical Society Vol. 140; no. 24; pp. 7425 - 7429
Main Authors: Jing Su, Windorff, Cory J., Batista, Enrique R., Evans, William J., Gaunt, Andrew J., Janicke, Michael T., Kozimor, Stosh A., Scott, Brian L., Woen, David H., Ping Yang
Format: Article
Published: American Chemical Society 6/20/2018
Subjects:
Neptunium
Crystallography
Electron configuration
Oxidation states
Density functional theory
Online Access:View this record in EBSCOhost
Summary:We report a new formal oxidation state for neptunium in a crystallographically characterizable molecular complex, namely Np in [K(crypt)][NpCp″] [crypt = 2.2.2-cryptand, Cp″ = CH(SiMe)]. Density functional theory calculations indicate that the ground state electronic configuration of the Np2+ ion in the complex is 5f6d.