| 1364512-23-1

• CAS: 1364512-23-1
• 化学式: C₃₉H₉₁Ce₅O₁₄
• 分子量: 1484.74
• InChiKey: YJXJHVNBTPEIRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  三氯化铈 、 异丙醇 在 potassium 、 water 作用下， 以 异丙醇 、 甲苯 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Synthesis, structure and properties of two unexpected square pyramidal pentanuclear oxo-isopropoxide molecules: Ce5O(OPri)13 and La5O(OPri)13(HOPri)2

  摘要：

  The synthesis, structure and properties of two pentanuclear oxo-alkoxides are described. A combination of metathesis of LnCl(3) and 3KOPr(i) and stoichiometric hydrolysis resulted in the solvated oxo-alkoxide La5O(OPri)(13)(HOPri)(2) (1) and the non-solvated Ce5O(OPri)(13) (3). 1 is rather stable at room-temperature, but desolvation into La5O(OPri)(13) (2), identified by spectroscopy, could be achieved by vacuum treatment. 1 and 3 were structurally characterised by single-crystal X-ray diffraction. In both 1 and 3 the metal atoms have a square pyramidal arrangement. In 1, each crystallographically independent La5O(OPri)(13) (HOPri)(2) molecule contains 3 six-coordinated and 2 seven-coordinated La atoms, while in 3 all Ce atoms are six-coordinated. 3 Is the first structurally characterized example of a purely Ce3+ isopropoxide. Characterisations of 1 and 3 were by IR- and Raman spectroscopy and differential scanning calorimetry, and for 1 also by H-1 and C-13 NMR spectroscopy. The great similarity of the IR spectra of the solid 1 and 3, respectively, to their corresponding solutions, showed that the molecular structure present in the solid state is close to retained in solution. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.11.041