Synthesis, Characterization, and Theoretical Studies of Group 4 Amido Hydrotris(pyrazolyl)borate Complexes

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• 作者：Hu Cai ; Wai Han Lam ; Xianghua Yu ; Xiaozhan Liu ; Zhong-Zhi Wu ; Tianniu Chen ; Zhenyang Lin ; Xue-Tai Chen ; Xiao-Zeng You ; and Ziling Xue
• 刊名：Inorganic Chemistry
• 出版年：2003
• 出版时间：May 5, 2003
• 年：2003
• 卷：42
• 期：9
• 页码：3008 - 3015
• 全文大小：202K
• 年卷期：v.42,no.9(May 5, 2003)
• ISSN：1520-510X

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.