[1,2,4-(Me3C)3C5H2]2Yb(2,6-Me2C6H3NC) | 449181-30-0

• 英文名称: [1,2,4-(Me3C)3C5H2]2Yb(2,6-Me2C6H3NC)
• CAS: 449181-30-0
• 化学式: C₄₃H₆₇NYb
• 分子量: 771.052
• InChiKey: FVECHQVIEFOKFD-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：

  hexa(tert-butyl)ytterbocene 、 2,6-二甲基苯基异腈 以 甲苯 为溶剂， 以70%的产率得到[1,2,4-(Me3C)3C5H2]2Yb(2,6-Me2C6H3NC)
  参考文献：
  名称：

  Synthesis and Solid State Structures of Sterically Crowded d⁰-Metallocenes of Magnesium, Calcium, Strontium, Barium, Samarium, and Ytterbium

  摘要：

  The base-free metallocenes [1,2,4-(Me3C)(3)C5H2](2)Ca, [1,2,4-(Me3C)(3)C5H2](2)Sr, and [1,2,4-(Me3C)(3)C5H2](2)Ba have been prepared by reaction of MI2 and the sodium or potassium salt of the substituted cyclopentadiene an ion in THF, while [1,2,4-(Me3C)(3)C5H2](2)Mg was prepared from the cyclopentadiene, 1,2,4-(Me3C)(3)C5H3, and dibutylmagnesium. The structures of the magnescene and calcocene as well as those of the previously prepared ytterbium and analgoues havebeen. determined by X-ray crystallography. The metallocenes are slightly bent in the solid state with centroid-metal-centroid angles ranging from 163degrees to 173degrees. Adducts of the strontocene and samarocene with THF and of the barocene, samarocene, and ytterbocene with 2,6-Me2C6H3NC have also been prepared and characterized. The massive bulk of the [1,2,4-(Me3C)(3)C5H2](-) ligand leads to behavior quite different from that previously observed for base-free metallocenes of the alkaline earths and divalent lanthanides.

  DOI：

  10.1021/om0108705