Mono-, di-, and Ttianionic beta-diketiminato ligands: a computational study and the synthesis and structure of [(YbL)(3)(THF)], L = [[N(SiMe(3))C(Ph)](2)CH]

Odile Eisenstein; Peter B Hitchcock; Alexei V Khvostov; Michael F Lappert; Laurent Maron; Lionel Perrin; Andrey V Protchenko

doi:10.1021/ja036902s

Mono-, di-, and Ttianionic beta-diketiminato ligands: a computational study and the synthesis and structure of [(YbL)(3)(THF)], L = [[N(SiMe(3))C(Ph)](2)CH]

J Am Chem Soc. 2003 Sep 10;125(36):10790-1. doi: 10.1021/ja036902s.

Authors

Odile Eisenstein¹, Peter B Hitchcock, Alexei V Khvostov, Michael F Lappert, Laurent Maron, Lionel Perrin, Andrey V Protchenko

Affiliation

¹ LSDSMS (UMR 5636), Université Montpellier 2, 34095, Montpellier Cedex 5, France.

PMID: 12952450
DOI: 10.1021/ja036902s

Abstract

A trinuclear Yb beta-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{(mu-L)Li(THF)}2] (2) was analyzed by DFT and ONIOM (QM/MM) calculations.