903504-47-2Relevant academic research and scientific papers
Fac versus mer coordination for a tridentate diethylene glycloiate ligand in tantalum complexes: A combined experimental and theoretical study
Bo, Carles,Fandos, Rosa,Feliz, Marta,Hernandez, Carolina,Otero, Antonio,Rodriguez, Ana,Ruiz, Maria Jose,Pastor, Cesar
, p. 3336 - 3344 (2006)
A series of new tantalum-digol (digol = diethylene glycolate) complexes TaCp*Cl2(K3-digol) (1), TaCp*Me 2(κ3-digol) (2), TaCp*ClMe(κ3-digol) (3), and TaCp*Me(OTf) (κ3-digol) (OTf = triflate) (4) have been synthesized. Treatment of 2 with 1 equiv of H2OB(C6F5) 3 enabled the synthesis of a tantalumoxo borane-stabilized complex, TaCp*{O·B(C6F5)3}(κ:3-digol) (5). Insertion processes into the methyl groups of complexes 2, 3, and 4 were not observed upon reaction with CO or isocyanides. In contrast, complex 4 reacted slowly with 1 equiv of xylylisocyanide (xylyl = 2,6-dimethylphenyl) to yield the dicationic aminocarbene complex [TaCp*{C(Me)NH(xylyl)}(OH 2)(κ3-digol)][OTf]2 (6). All products were characterized by NMR spectroscopy and elemental analysis. The single-crystal structures of 1, 5, and 6 were determined. The molecular structures of 1, 2, 3, and 6 were also determined by means of DFT-based methods.
