| 652987-01-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 652987-01-4
• 化学式: C₇₈H₁₀₂N₈O₂Zn₂
• 分子量: 1314.5
• InChiKey: HTJFHDYCUGCDCB-BOBISKJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  乙醇 、 (Zn(C₅H(C₂H₅)2N)3(C₅(C₂H₅)2N))2C₂H₄ 以 乙醇 、 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Syn-Anti Conformational Changes in Zinc Porphyrin Dimers Induced by Temperature-Controlled Alcohol Ligation

  摘要：

  Unique temperature-dependent syn-anti conformational switching in bis- and monozinc ethane-bridged porphyrin dimers takes place in nonpolar solvents containing a small amount of alcohol (1-5%). These dimers adopt a syn conformation at any studied temperatures in the absence of alcohol added, while, in the presence of alcohol, a decrease in temperature from 310 to 183 K results in the gradual shift of the conformational equilibrium toward the anti conformer. Apparently the mechanism of this unprecedented phenomenon is based on the enhanced alcohol ligation to zinc porphyrins at low temperature which is capable of destroying the strong pi-pi interporphyrin interactions. This process is monitored by variable temperature (VT) UV-vis and VT H-1 NMR spectral methods and the corresponding thermodynamic parameters are evaluated using a van't Hoff type analysis. Strong exciton coupling between the B transitions of the anti dimers are observed at low temperatures.

  DOI：

  10.1021/jp990644x