Issue 33, 2011

Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds

Abstract

Cyclometalated aryl tetra- or trichlorido cyclopentadienyl tantalum complexes [TaXCl3{C6H4(2-CH2NMe2)-κ2C,N}] (X = Cl 1, η5-C5H52, η5-C5H4(SiMe3) 3, η5-C5Me54) containing a five-membered TaC3N chelate ring were synthesized by reaction of the TaXCl4 (X = Cl, η5-C5H5, η5-C5H4(SiMe3), η5-C5Me5) with the appropriate lithium aryl reagent [Li{C6H4(2-CH2NMe2)}]. The reported complexes were studied by IR and NMR spectroscopy and the X-ray molecular structures of compounds 2, 3 and 4 were determined by diffraction methods. These compounds were theoretically analyzed by the DFT method and their structures were rationalized. The preferential coordination of the 2-{(dimethylamino)methyl}phenyl ligand was justified by an analysis of the molecular orbitals of the Ta(η5-C5H5)Cl3 and C6H4(2-CH2NMe2) fragments. In addition, the exchange pathways that account for the NMR equivalency of the Me2N– methyl groups and –CH2– hydrogen atoms of the coordinated C6H4(2-CH2NMe2)-κ2C,N ligand were theoretically studied.

Graphical abstract: Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds

Supplementary files

Article information

Article type
Paper
Submitted
09 Feb 2011
Accepted
09 Jun 2011
First published
22 Jul 2011

Dalton Trans., 2011,40, 8399-8406

Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(V) compounds

M. Galajov, A. Galindo, C. García, M. Gómez, P. Gómez-Sal and A. Parra, Dalton Trans., 2011, 40, 8399 DOI: 10.1039/C1DT10223K

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