Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {NpII[C5H3(SiMe3)2]3}1-

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[1] Su, Jing
[2] 2,Windorff, Cory J.
[3] Batista, Enrique R.
[4] Evans, William J.
[5] Gaunt, Andrew J.
[6] Janicke, Michael T.
[7] Kozimor, Stosh A.
[8] Scott, Brian L.
[9] Woen, David H.
[10] Yang, Ping
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Batista, Enrique R. (erb@lanl.gov) | 1600年 / American Chemical Society卷 / 140期
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Density functional theory;
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摘要：
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. © 2018 American Chemical Society.
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