3-[3-(2-Carboxylatoethyl)phenyl]propanoate;manganese(3+);oxygen(2-);pyridine;perchlorate | 361204-92-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-[3-(2-Carboxylatoethyl)phenyl]propanoate;manganese(3+);oxygen(2-);pyridine;perchlorate
• CAS: 361204-92-4
• 化学式: C₅₁H₅₁Mn₃N₃O₁₃*ClO₄
• 分子量: 1178.24
• InChiKey: KIBBPEDZKVLOEN-UHFFFAOYSA-G

计算性质

• 辛醇/水分配系数(LogP)：
  -4.48
• 重原子数：
  75
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  355
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  [Mn3O(acetato)6(py)3](ClO4) 、 3-(3-(2-carboxyethyl)phenyl)propanoic acid 以 甲苯 、 乙腈 为溶剂， 生成 3-[3-(2-Carboxylatoethyl)phenyl]propanoate;manganese(3+);oxygen(2-);pyridine;perchlorate
  参考文献：
  名称：

  Use of the dicarboxylate ligand m-phenylenedipropionate for the synthesis of new Mn/O clusters. Synthesis, characterization and magnetic properties

  摘要：

  The quest for new Mn clusters that display large spin ground states or that can serve as a synthetic model for the water oxidation center in PSII has been pursued by using the dicarboxylate ligand m-phenylenedipropionate (mpdp(2-)). Ligand substitution of the acetate groups by this ligand in preformed clusters yields the compounds [Mn2O(mpdp)-(bpy)(2)(MeCN)(H2O)](ClO4)(2) (1) and [Mn3O(mpdp)(3)(py)(3)](ClO4) (2), both similar in structure and properties to their acetate analogs. In a different reaction, mpdp(2-) has allowed access to [Mn6O7(mpdp)(3)(bpy)(3)](ClO4) (3), a new structural type whose electronic structure has been explored by measurements of its DC susceptibility and data indicate that it possesses a S = 3/2 ground slate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00622-2