[Mn(H2O)(4,4'-oxy-bis(benzoate))] | 960307-51-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Mn(H2O)(4,4'-oxy-bis(benzoate))]
• CAS: 960307-51-1
• 化学式: C₁₄H₈O₅*H₂O*Mn
• 分子量: 329.168
• InChiKey: JNOXKSLNVLDFDT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.62
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4,4'-二苯醚二甲酸 在 imidazole 、 NaOH 作用下， 以 水 为溶剂， 生成 [Mn(H2O)(4,4'-oxy-bis(benzoate))]
  参考文献：
  名称：

  The role of temperature on the structure and dimensionality of MOFs: an illustrative study of the formation of manganese oxy-bis(benzoate) structures

  摘要：

  通过提高反应温度合成的三种新型双（苯甲酸）锰氧化合物的尺寸不断增大，锰-锰距离不断减小，这表明可能存在熵驱动的脱水途径。

  DOI：

  10.1039/b708060c

文献信息

• Role of Temperature and Time in the Formation of Infinite −M−O−M− Linkages and Isolated Clusters in MOFs: A Few Illustrative Examples
  作者：Partha Mahata、Manikanda Prabu、Srinivasan Natarajan

  DOI：10.1021/ic800621q

  日期：2008.10.6

  The role of temperature and time of reaction in the formation of metal-organic frameworks (MOFs) has been studied in two systems of compounds, manganese oxybis(benzoate) and manganese trimellitates, and the results compared and contrasted with other similar studies in the literature. The investigation reveals the formation of six different phases in oxybis(benzoate) and three phases in trimellitate systems. The low-temperature phases in both systems of compounds possess Mn-4 cluster units linked by the carboxylate ligands, while the high-temperature phase, irrespective of the duration of the reaction, has a three-dimensional structure with -Mn-O-Mn- linkages with brucite-related layers pillared by oxybis(benzoate) and Kagome-related layers pillared by trimellitate ligands. In all of the preparation, the reactions appear to have thermodynamic control as a function of the temperature. The isolation of low-dimensional structures in manganese oxybis(benzoate) at moderate time and temperature indicates possible kinetic control. The formation of reactive low-dimensional phases has been rationalized by considering the local charge distribution around the Mn site and also invoking a possible dissolution-recrystalization mechanism.