A1 Journal article (refereed)
Isolation of a Perfectly Linear Uranium(II) Metallocene (2020)


Guo, Fu-Sheng; Tsoureas, Nikolaos; Huang, Guo-Zhang; Tong, Ming-Liang; Mansikkamäki, Akseli; Layfield, Richard A. (2020). Isolation of a Perfectly Linear Uranium(II) Metallocene. Angewandte Chemie, 59 (6), 2299-2303. DOI: 10.1002/anie.201912663


JYU authors or editors


Publication details

All authors or editors: Guo, Fu-Sheng; Tsoureas, Nikolaos; Huang, Guo-Zhang; Tong, Ming-Liang; Mansikkamäki, Akseli; Layfield, Richard A.

Journal or series: Angewandte Chemie

ISSN: 1433-7851

eISSN: 1521-3773

Publication year: 2020

Volume: 59

Issue number: 6

Pages range: 2299-2303

Publisher: Wiley-VCH Verlag

Publication country: Germany

Publication language: English

DOI: http://doi.org/10.1002/anie.201912663

Open Access: Publication channel is not openly available

Publication is parallel published: http://sro.sussex.ac.uk/id/eprint/87991/


Abstract

Reduction of the uranium(III) metallocene [(eta(5)-(C5Pr5)-Pr-i)(2)UI] (1) with potassium graphite produces the "second-generation" uranocene [(eta(5)-(C5Pr5)-Pr-i)(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-6dz2 mixing.


Keywords: organometallic compounds; uranium; chemical bonds; magnetic properties

Free keywords: chemical bonding; electronic structure; magnetic properties; metallocenes; uranium


Contributing organizations


Ministry reporting: Yes

Reporting Year: 2020

Preliminary JUFO rating: 3


Last updated on 2020-09-07 at 23:09