Cu(triphenylphosphine)(2-(p-tolylazo)imidazole)Br | 1400923-69-4

• 英文名称: Cu(triphenylphosphine)(2-(p-tolylazo)imidazole)Br
• 英文别名: [Cu(MeaaiH)(PPh₃)Br]
• CAS: 1400923-69-4
• 化学式: C₂₈H₂₅BrCuN₄P
• 分子量: 591.957
• InChiKey: JXAMZILNDYLUAM-KXVYGGSGSA-M

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：

  三苯基膦 以 甲醇 、 乙腈 为溶剂， 生成 Cu(triphenylphosphine)(2-(p-tolylazo)imidazole)Br
  参考文献：
  名称：

  Structure, electrochemistry and photochromism of [Cu(RaaiR′)(PPh3)X] (RaaiR′=1-alkyl-2-(arylazo)imidazole; X=Cl, Br, I) and correlation with theoretical calculations

  摘要：

  The reaction between CuX (X = Cl, Br, I), PPh3 and 1-alkyl-2-(arylazo)imidazole (RaaiR') has synthesized [Cu(RaaiR')(PPh3)X]. The composition has been established by spectroscopic (UV-Vis, IR, H-1 NMR) data and the single crystal X-ray diffraction study of [Cu(MeaaiH)(PPh3)Cl] and [Cu(MeaaiH)(PPh3)Br] (MeaaiH = 2-(p-tolylazo)imidazole) have confirmed the structures. These complexes show trans-to-cis (E-to-Z) photoisomerisation upon UV light irradiation. Quantum yields (phi(E -> Z)) of [Cu(RaaiR')(PPh3)X] are lower than the free ligand values. The rate of isomerisation follows the sequence [Cu(RaaiR')(PPh3)Cl] < [Cu(RaaiR')(PPh3)Br] < [Cu(RaaiR')(PPh3)I]. The cis-to-trans (Z-to-E) isomerisation is very slow upon light irradiation and has been achieved by a thermal route. The activation energy (E-a) of the Z-to-E isomerisation has been calculated by a controlled temperature reaction. OFT calculations of the optimized geometry of representative complexes have been used to determine the composition and energy of the molecular levels. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.039