bis((7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy)aluminum chloride | 765911-52-2

• 英文名称: bis((7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy)aluminum chloride
• CAS: 765911-52-2
• 化学式: C₃₀H₁₈AlClO₈
• 分子量: 568.903
• InChiKey: ZSHGJVXWTBPZHU-UHFFFAOYSA-K

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：

  三氯化铝 、 白杨素 在 NaCl 作用下， 以 甲醇 为溶剂， 生成 bis((7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy)aluminum chloride
  参考文献：
  名称：

  Structural and spectroscopic study of 5,7-dihydroxy-flavone and its complex with aluminum

  摘要：

  The structure, stability and molar absorptivity of the complex formed between AlCl3 and 5,7-dihydroxy-flavone in methanol were investigated using UV-Vis spectroscopy and the AM I method, The molar ratio method and Job's method of continuous variation were applied to ascertain the stoichiometric composition of the complex in methanol at constant ionic strength. A 1:2 complex was indicated by both methods. The molar absorptivity and stability constant of the complex were determined using a simple and accurate procedure that requires solutions having the ligand and metal ion in the stoichiometric proportion. The high stability constant demonstrates that the complexation reaction is total. The structure of this complex, obtained by the quantum semi-empirical AM1 method, indicates that two classes of metal-ligand interactions are involved in the formation of the metal complex: (a) two simple covalent bonds between the aluminum atom and the oxygen atoms of o-hydroxyl groups of 5,7-dihydroxy-flavone; (b) two stronger Coulombic interactions between the aluminum atom and the carbonyl oxygen atoms of the ligand. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2003.11.022