title: Exchange of an imido ligand in bis(imido) complexes of uranium.
abstract: Addition of B(C6H5)3.H2O to U(NtBu)2I2(THF)2 provides U(NtBu)(O)I2(THF)2, a complex with a trans arrangement of the oxo and imido ligands. A DFT study on the Ph3PO adduct, U(NtBu)(O)I2(Ph3PO)2, reveals that there are six bonding orbitals in the O=U=N interaction, much like the bis(imido) N=U=N interaction. However, the calculations suggest that the multiple bonding in the oxo imido complexes is less covalent than that in the bis(imido) analogues.
authors.affiliation: Materials Physics and Applications Division, Los Alamos National Laboratory, MS J514, 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: Enrique R
authors.initials: ER
authors.lastname: Batista