title: Computational insight into the reductive oligomerisation of CO at uranium(III) mixed-sandwich complexes.
abstract: Calculations reveal a multistep pathway towards formation of linear [U](2)-(μ-η(1):η(1)-C(2)O(2)); [U] = U(η-C(8)H(6){SiH(3)-1,4}(2))(η-Cp). However formation of deltate-bridged [U](2)-(μ-η(1):η(2)-C(3)O(3)) requires an alternative mechanism, involving a side-on [U](2)-(μ-η(2):η(2)-CO) complex and whereby the bridging units of [U](2)-(μ-η(2):η(2)-C(n)O(n)) intermediates (n = 1, 2) react directly with free CO.
authors.affiliation: Laboratoire de Physique et Chimie des Nano-Objets, INSA, Université Paul Sabatier, 135 Avenue de Rangueil, 31077 Toulouse Cedex 4, France.
authors.forename: David
authors.initials: D
authors.lastname: McKay
authors.forename: Alistair S P
authors.initials: AS
authors.lastname: Frey
authors.forename: Jennifer C
authors.initials: JC
authors.lastname: Green
authors.forename: F Geoffrey N
authors.initials: FG
authors.lastname: Cloke
authors.forename: Laurent
authors.initials: L
authors.lastname: Maron