| 1257531-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1257531-60-4
• 化学式: C₅₃H₆₁BrN₄O₂Zn
• 分子量: 931.387
• InChiKey: ALXUVZZIVKNHRP-UEXDSMAYSA-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

• 作为反应物：
  描述：

  在 sodium azide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 以87%的产率得到C₅₃H₆₁N₇O₂Zn
  参考文献：
  名称：

  A Porphyrin-Based Molecular Tweezer: Guest-Induced Switching of Forward and Backward Photoinduced Energy Transfer

  摘要：

  A bisindole-bridged-porphyrin tweezer (1), a pair of zinc porphyrins (P-Zn'S) connected to bisindole bridge (BB) via the Cu-I-mediated alkyne-azide click chemistry, exhibited unique switching in forward and backward photoinduced energy transfer by specific guest bindings. The addition of Cu2+ caused a change in electronic absorption and fluorescence quenching of 1. MALDI-TOF-MS and FT-IR analyses indicated the formation of stable coordination complex between 1 and Cu2+ (1-Cu(II)). Without Cu2+ coordination, the excitation energy flows from BB to P-Zn's with significantly high energy transfer efficiency. In contrast, the direction of energy flow in 1 was completely reversed by the coordination of Cu2+. The difference in fluorescence quantum yield between 1 and 1-Cu(II) indicates that more than 95% of excitation energy of P-Zn flows into Cu(II)-coordinated BB. The energy transfer efficiency was further controlled by bidentate ligand coordination onto 1-Cu(II). When pyrophosphate ion was added to 1-Cu(II), the recovery of fluorescence emission from P-Zn was observed. The quantum mechanical calculations indicated that the Cu(II)-coordinated BB has square planar geometry, which can be distorted to form octahedral geometry due to the coordination of bidentate ligands.

  DOI：

  10.1021/ja4124048