Synthesis of Imido Analogs of the Uranyl Ion
2005; American Association for the Advancement of Science; Volume: 310; Issue: 5756 Linguagem: Inglês
10.1126/science.1120069
ISSN1095-9203
AutoresTrevor W. Hayton, James M. Boncella, Brian L. Scott, Phillip D. Palmer, Enrique R. Batista, P. Jeffrey Hay,
Tópico(s)Nuclear Materials and Properties
ResumoHere we describe the synthesis of two imido analogs of the uranyl ion, UO(2+)2, in which the oxygens are replaced by divalent alkyl or aryl nitrogen groups: U(NtBu)2I2(THF)2 (1) and U(NPh)2I2(THF)3 (2) (where tBu is tert-butyl and THF is tetrahydrofuran). Both compounds have been fully characterized by standard analytical techniques, including x-ray crystallography, and the chemical bonding between the metal center and the nitrogen ligands was quantified by using hybrid density functional theory calculations. As expected for a uranyl analog, these complexes exhibit linear N-U-N linkages and very short U-N bonds. In addition, the theoretical calculations show strong involvement of the 5f and 6d electrons in the U-N bonding.
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