Mono-, Di-, and Trianionic B-Diketiminato Ligands: A Computational Study and the Synthesis and Structure of [(YbL)3(THF)], L= [{N(SiMe3)C(Ph)}2CH]

Eisenstein, Odile, Hitchcock, Peter B, Khvostov, Alexei V, Lappert, Michael F, Maron, Laurent, Perrin, Lionel and Protchenko, Andrey V (2003) Mono-, Di-, and Trianionic B-Diketiminato Ligands: A Computational Study and the Synthesis and Structure of [(YbL)3(THF)], L= [{N(SiMe3)C(Ph)}2CH]. Journal of the American Chemical Society, 125 (36). pp. 10790-10791. ISSN 0002-7863

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Abstract

A trinuclear Yb β-diketiminato cluster [(YbL)3(THF)] (1) (L = {N(SiMe3)C(Ph)}2CH), containing L-1 and L-3 as well as Yb(II) and Yb(III) centers, was obtained by treatment of [YbL2] with Yb-naphthalene and was characterized by X-ray crystallography. The electron distribution in 1 and the Yb(II)/L-2 complex [Yb{(μ-L)Li(THF)}2] (2) was analyzed by DFT and ONIOM (QM/MM) calculations.

Item Type: Article
Additional Information: First demonstration of mixed Yb2+Yb3+ valency complexes with L2- and L3- (as well as L-), also first preparation of reduced Li2L and Li2L. MFL directed the work at Sussex and is joint principle author.
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: EPrints Services
Date Deposited: 06 Feb 2012 19:36
Last Modified: 23 Mar 2012 11:54
URI: http://sro.sussex.ac.uk/id/eprint/21488
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