[Cu2(1,6-bis(diphenylphosphino)pyrene)2I2] | 1316890-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: [Cu2(1,6-bis(diphenylphosphino)pyrene)2I2]
• CAS: 1316890-38-6
• 化学式: C₈₀H₅₆Cu₂I₂P₄
• 分子量: 1522.12
• InChiKey: QYVRAWAUCPWIOH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  88.0
• 可旋转键数：
  8.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  copper(l) iodide 、 1,6-di-(diphenylphosphine)-pyrene 以 二氯甲烷 为溶剂， 以90%的产率得到[Cu2(1,6-bis(diphenylphosphino)pyrene)2I2]
  参考文献：
  名称：

  Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings

  摘要：

  1,6-Bis(diphenylphosphino)pyrene (L) was reacted with Ag(I) and Cu(I) ions to form metallacyclophanes [Ag2L2(OTf)(2)] (1), [Cu2L2(MeCN)(4)](2+) (2), and [Cu2L2I2] (3) which consisted of two cofacial pyrenyl rings. 1 and 2 exhibited intramolecular excimeric emissions which along with the UV-vis absorption were invoked in understanding the solution dynamics of the metallocyclophanes. The metallacyclophanes were stable toward ring-opening dissociation at concentration as low as 10(-7) M. However, air oxidation of the dangling PPh2 groups arising from metal-ligand bond dissociation drove the equilibrium toward dissociation and produced the oxidized phosphine 1,6-bis(diphenylphosphine oxide)pyrene.

  DOI：

  10.1021/ic102441b