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  • Title: 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].
    Author: Eisenstein O, Hitchcock PB, Khvostov AV, Lappert MF, Maron L, Perrin L, Protchenko AV.
    Journal: J Am Chem Soc; 2003 Sep 10; 125(36):10790-1. PubMed ID: 12952450.
    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.
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