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Issue 33, 2011
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Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(V) compounds

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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

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Publication details

The article was received on 09 Feb 2011, accepted on 09 Jun 2011 and first published on 22 Jul 2011


Article type: Paper
DOI: 10.1039/C1DT10223K
Citation: Dalton Trans., 2011,40, 8399-8406
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    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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