Synthesis, Characterization, and Theoretical Studies of Group 4 Amido Hydrotris(pyrazolyl)borate Complexes
文摘
Titanium and zirconium amido complexes containing a hydrotris(pyrazolyl)borate (Tp) or hydrotris(3,5-dimethylpyrazolyl)borate (Tp*) ligand TpM(NMe2)3 (M = Ti, 1; M = Zr, 2) and Tp*M(NMe2)3 (M = Ti, 3; M = Zr, 4) wereprepared by the reactions of M(NMe2)3Cl (M = Ti, Zr) with sodium hydridotris(pyrazol-1-yl)borate and potassiumhydridotris(3,5-dimethylpyrazol-1-yl)borate, respectively. The structures of 1, 2, and 4·CH2Cl2 were determined byX-ray diffraction and show octahedral coordination geometry around the metal centers. Density functional theorycalculations at the B3PW91 level were performed to understand the orientations and the rotational behavior ofamido ligands in these metal complexes.