Synthesis, Characterization, and Theoretical Studies of Group 4 Amido Hydrotris(pyrazolyl)borate Complexes
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) were prepared by the reactions of M(NMe2)3Cl (M = Ti, Zr) with sodium hydridotris(pyrazo...
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Published in | Inorganic chemistry Vol. 42; no. 9; pp. 3008 - 3015 |
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Main Authors | , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
United States
American Chemical Society
05.05.2003
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Online Access | Get full text |
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Summary: | 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) were prepared by the reactions of M(NMe2)3Cl (M = Ti, Zr) with sodium hydridotris(pyrazol-1-yl)borate and potassium hydridotris(3,5-dimethylpyrazol-1-yl)borate, respectively. The structures of 1, 2, and 4·CH2Cl2 were determined by X-ray diffraction and show octahedral coordination geometry around the metal centers. Density functional theory calculations at the B3PW91 level were performed to understand the orientations and the rotational behavior of amido ligands in these metal complexes. |
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Bibliography: | ark:/67375/TPS-59CPD8TB-Q istex:67BDCA1A833FB6135D48431CDE3AAF42DD4EC563 ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0020-1669 1520-510X |
DOI: | 10.1021/ic026063v |