[Co(5-methylisophthalic acid(-2H))(H2O)(1,10-phenanthroline)]n | 1422466-55-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Co(5-methylisophthalic acid(-2H))(H2O)(1,10-phenanthroline)]n
• CAS: 1422466-55-4
• 化学式: C₉H₆O₄*C₁₂H₈N₂*Co*H₂O
• 分子量: 435.362
• InChiKey: OWCPWFMPSQADOS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 cobalt(II) chloride hexahydrate 、 5-甲基间苯二酸 、 水 在 sodium hydroxide 作用下， 反应 72.0h， 以28%的产率得到[Co(5-methylisophthalic acid(-2H))(H2O)(1,10-phenanthroline)]n
  参考文献：
  名称：

  Fine tuning of the coordination environments and magnetic properties of first row transition metal ions with 5-methylisophthalate and 2,2′-bipyridine/phenanthroline

  摘要：

  Twelve coordination compounds of Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+, with mixed organic ligands 5-methylisophthalic acid, 2,2'-bipyridine or phenanthroline, have been hydrothermally synthesised and characterised. The magnetic properties of the Mn2+, Co2+, Ni2+ and Cu2+ compounds have been investigated. Structure analysis shows that the assemblies with a bridging ligand possessing a smaller methyl group (compared to the tert-butyl group) afford coordination compounds containing multinuclear metal centres and structures of higher dimension. The result shows that the structures and properties of the metal-organic materials can be finely tuned by the substituent on the organic bridging ligands. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.052