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].
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.
Eisenstein
Odile
O
LSDSMS (UMR 5636), Université Montpellier 2, 34095, Montpellier Cedex 5, France.
Hitchcock
Peter B
PB
Khvostov
Alexei V
AV
Lappert
Michael F
MF
Maron
Laurent
L
Perrin
Lionel
L
Protchenko
Andrey V
AV