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Dr. Lani A. Seaman, Dr. Peter Hrobárik, Michael F. Schettini, Dr. Skye Fortier, Prof. Dr. Martin Kaupp and Prof. Dr. Trevor W. Hayton A Rare Uranyl(VI)–Alkyl Ate Complex [Li(DME)1.5]2[UO2(CH2SiMe3)4] and Its Comparison with a Homoleptic Uranium(VI)–Hexaalkyl Angewandte Chemie International Edition 52

Version of Record online: 12 FEB 2013 | DOI: 10.1002/anie.201209611

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A rare tetraalkyl–uranyl “ate” complex 1 was prepared and characterized for comparison with a UVI–hexaalkyl complex 2. Both 1 and 2 feature unprecedented high-frequency methylene 13C 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 U[BOND]C bond.

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