Isolation of a perfectly linear uranium(II) metallocene

Guo, Fu-Sheng, Tsoureas, Nikolaos, Huang, Guo-Zhang, Tong, Ming-Liang, Mansikkamäki, Akseli and Layfield, Richard A (2019) Isolation of a perfectly linear uranium(II) metallocene. Angewandte Chemie International Edition, 59 (6). pp. 1-5. ISSN 1433-7851

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Reduction of the uranium(III) metallocene [(η 5 ‐C 5 i Pr 5 ) 2 UI] ( 1 ) with potassium graphite produces the 'second‐generation' uranocene [(η 5 ‐C 5 i Pr 5 ) 2 U] ( 2 ), which contains uranium in the formal divalent oxidation state. The geometry of 2 is that of a perfectly linear bis(cyclopentadienyl) sandwich complex, with the ground‐state valence electron configuration of uranium(II) revealed by electronic spectroscopy and density functional theory to be 5f 3 6d 1 . Appreciable covalent contributions to the metal‐ligand bonds were determined from a computational study of 2 , including participation from the uranium 5f and 6d orbitals. Whereas three unpaired electrons in 2 occupy orbitals with essentially pure 5f character, the fourth electron resides in an orbital defined by strong 7s‐6d z 2 mixing.

Item Type: Article
Keywords: uranium, organometallics
Schools and Departments: School of Life Sciences > Chemistry
Subjects: Q Science > QD Chemistry > QD0146 Inorganic chemistry
Depositing User: Richard Layfield
Date Deposited: 13 Nov 2019 08:22
Last Modified: 25 Jan 2021 09:30

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