A Rare Uranyl(VI)–Alkyl Ate Complex [Li(DME) 1.5 ] 2 [UO 2 (CH 2 SiMe 3 ) 4 ] and Its Comparison with a Homoleptic Uranium(VI)–Hexaalkyl | Zendy

Seaman Lani A. | Zendy; Hrobárik Peter | Zendy; Schettini Michael F. | Zendy; Fortier Skye | Zendy; Kaupp Martin | Zendy; Hayton Trevor W. | Zendy

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A Rare Uranyl(VI)–Alkyl Ate Complex [Li(DME) 1.5 ] 2 [UO 2 (CH 2 SiMe 3 ) 4 ] and Its Comparison with a Homoleptic Uranium(VI)–Hexaalkyl

Author(s) -

Seaman Lani A.,

Hrobárik Peter,

Schettini Michael F.,

Fortier Skye,

Kaupp Martin,

Hayton Trevor W.

Publication year - 2013

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.201209611

Subject(s) - uranyl , diamagnetism , chemistry , methylene , computer science , crystallography , physics , medicinal chemistry , organic chemistry , ion , quantum mechanics , magnetic field

A rare tetraalkyl–uranyl “ate” complex 1 was prepared and characterized for comparison with a U VI –hexaalkyl complex 2 . Both 1 and 2 feature unprecedented high‐frequency methylene 13 C NMR shifts (see picture). That of complex 2 constitutes a new record for diamagnetic mononuclear complexes. Relativistic DFT calculations show that these extreme shifts are due to spin–orbit effects, a consequence of significant f‐orbital involvement in the UC bond.

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