[Cu(2,9-dimethyl-1,10-phenanthroline)2][tris(4-hydroxyphenyl)ethane(1-))] | 916657-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [Cu(2,9-dimethyl-1,10-phenanthroline)2][tris(4-hydroxyphenyl)ethane(1-))]
• 英文别名: Cu(dmp)2-THPE；4-[1,1-bis(4-hydroxyphenyl)ethyl]phenolate;copper(1+);2,9-dimethyl-1,10-phenanthroline
• CAS: 916657-16-4
• 化学式: C₂₀H₁₇O₃*C₂₈H₂₄CuN₄
• 分子量: 785.425
• InChiKey: LMWPWYBQZCWANB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.32
• 重原子数：
  56
• 可旋转键数：
  3
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  新铜试剂 、 1,1,1-三(4-羟基苯基)乙烷 、 copper hydroxide 在 NaOH 作用下， 以 水 为溶剂， 生成 [Cu(2,9-dimethyl-1,10-phenanthroline)2][tris(4-hydroxyphenyl)ethane(1-))]
  参考文献：
  名称：

  Effect of the Environment on Molecular Properties:  Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks

  摘要：

  By selection of different charge-balancing anionic frameworks and different host-to-guest ratios, the photosensitizerdye cation [Cu(dmp)(2)](+) (dmp = 2,9-dimethyl-1,10-phenanthroline) has been embedded in a series of three-dimensional host structures. It occurs with variable geometry in different states of aggregation, including weakly interacting monomers, isolated dimers, columns, and layers. A large variation in its emission lifetime is correlated with the relative energy level spacings of the guest- and host-framework components. In a fully saturated host framework, the lifetime exceeds values reported for a series of conventional Cu(dmp)(2) salts.

  DOI：

  10.1021/ic0609709