title: Synthesis of imido analogs of the uranyl ion.
abstract: Here 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.
authors.affiliation: Chemistry Division, MS J514, MS B268, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.
authors.forename: Trevor W
authors.initials: TW
authors.lastname: Hayton
authors.forename: James M
authors.initials: JM
authors.lastname: Boncella
authors.forename: Brian L
authors.initials: BL
authors.lastname: Scott
authors.forename: Phillip D
authors.initials: PD
authors.lastname: Palmer
authors.forename: Enrique R
authors.initials: ER
authors.lastname: Batista
authors.forename: P Jeffrey
authors.initials: PJ
authors.lastname: Hay