(η(5)-C5H5)2TaAlH4 * THF | 193221-50-0

• 英文名称: (η(5)-C5H5)2TaAlH4 * THF
• CAS: 193221-50-0
• 化学式: C₁₄H₂₂AlOTa
• 分子量: 414.258
• InChiKey: DMLXVCDRYGBCBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  四氢呋喃 、 lithium tetrachloroaluminate 、 bis(cyclopentadienyl)tantalum dichloride 以 四氢呋喃 为溶剂， 以81%的产率得到(η(5)-C5H5)2TaAlH4 * THF
  参考文献：
  名称：

  Coordination behaviour of LiBEt4 towards (η5-C5H5)2ReH, (η5-C5H5)2WH2 and (η5-C5H5)2TaH3. Solid state structure of [(η5-C5H5)2TaH · A1H2(OCH2CH2CH2CH3)]2

  摘要：

  The interactions of LiBEt4 with the early metal metallocene hydrides (eta(5)-C5H5)(2)MHn (M = Ta, n = 3; M = W, n = 2; M = Re, n = 1) are investigated. It is found that 1:1 adduct formation between the Li cation of the soluble salt and the hydride ligands of the neutral hydride complexes is quite stable in solution; competition experiments show that the strength of this interaction increases as the number of hydride ligands increases. In addition, the X-ray crystal structure of [(eta(5)-C5H5)(2)TaH.AlH2(OCH2CH2CH2CH3)](2)is described; this is the intermediate that forms when (eta(5)-C5H5)(2)TaCl2 and LiAlH4 interact in THF. The tetranuclear structure results from the bridging butoxy groups which in turn arise from ring-opening of THF. Crystal data: [(eta(5)-C5H5)(2)TaH.AlH2(OCH2CH2CH2CH3)](2) (10) (C28H44Al2O2Ta2), monoclinic, alpha = 7.534(2), b = 11.433(1), c = 17.733(2) Angstrom, beta = 100.15(1)circle, Z = 2, space group P2(1)/c. The structure was solved by Patterson methods and was refined by full-matrix least-squares procedures to R = 0.036 (R-W = 0.032) for 1500 reflections with I greater than or equal to 3 sigma(I).

  DOI：

  10.1016/s0020-1693(96)05584-3