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

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

Open Access

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

Author(s) -

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

Publication year - 2018

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/jacs.8b03907

Subject(s) - neptunium , chemistry , oxidation state , ion , cryptand , crystallography , ground state , density functional theory , state (computer science) , actinide , computational chemistry , inorganic chemistry , atomic physics , catalysis , organic chemistry , physics , algorithm , computer science

We report a new formal oxidation state for neptunium in a crystallographically characterizable molecular complex, namely Np 2+ in [K(crypt)][Np II Cp″ 3 ] [crypt = 2.2.2-cryptand, Cp″ = C 5 H 3 (SiMe 3 ) 2 ]. Density functional theory calculations indicate that the ground state electronic configuration of the Np 2+ ion in the complex is 5f 4 6d 1 .

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