barium(2+);2-methylpropan-2-ol;2-methylpropan-2-olate;yttrium(3+) | 182231-74-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: barium(2+);2-methylpropan-2-ol;2-methylpropan-2-olate;yttrium(3+)
• CAS: 182231-74-9
• 化学式: C₃₂H₇₃Ba₂O₈Y
• 分子量: 949.493
• InChiKey: UJZVYUVEVCZUIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.03
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  182
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  bis(trimethylsilyl)amide yttrium(III) 、 [Ba{N(SiMe3)2}2(thf)2] 、 叔丁醇 以 乙醚 为溶剂， 生成 barium(2+);2-methylpropan-2-ol;2-methylpropan-2-olate;yttrium(3+)
  参考文献：
  名称：

  A YBa ₂ Cluster Based on Simple Ligands (O t Bu)

  摘要：

  AbstractReaction of a 1:2 mixture of Y[N(SiMe3)2]3 and Ba[N(SiMe3)2]2 with tBuOH (8 mol equivalents) in Et2O at 25°C yields YBa2(OtBu)7(tBuOH), which has a triangular structure with two μ3‐OtBu and three μ2‐OtBu ligands, one terminal OtBu on Y and on one Ba, and one terminal tBuOH on the second Ba. All metals are thus five‐coordinate. The crystal structure is comprised of chains of triangles of triangles held together by hydrogen bonds from tBuOH of one YBa2 unit to the terminal OtBu on Ba of the next YBa2 unit. This serves as support for the idea that, in certain cases, the heterometallic alkoxide product from alcoholysis of a mixture of two metal complexes can faithfully duplicate the global solution metal stoichiometry.

  DOI：

  10.1002/cber.19961290905