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

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机构：

[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

来源：

Batista, Enrique R. (erb@lanl.gov) | 1600年 / American Chemical Society卷 / 140期

关键词：

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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