[Ir(CZ)(CO)(PPh3)2] | 1310359-48-8

• 英文名称: [Ir(CZ)(CO)(PPh3)2]
• 英文别名: [Ir(2-(coumaryl-6-azo)imidazole-H)(CO)(triphenylphosphine)2]
• CAS: 1310359-48-8
• 化学式: C₄₉H₃₇IrN₄O₃P₂
• 分子量: 984.025
• InChiKey: RWPKTJQRFDVFPC-UHFFFAOYSA-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：

  bis(triphenylphosphine)iridium(I) carbonyl chloride 、 2-(coumarinyl-6-azo)imidazole 在 Et₃N 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到[Ir(CZ)(CO)(PPh3)2]
  参考文献：
  名称：

  Ir(I)–carbonyl complexes of coumarinazoimidazoles: Synthesis structure, electrochemistry, photophysical properties and DFT calculations

  摘要：

  The reactions of Vaska's complex [IrCl(CO)(PPh3)(2)] with 2-(coumaryl-6-azo)imidazole (CZ-H) and its derivatives (CZ-X) have synthesized [Ir(CZ)(CO)(PPh3)(2)] and [Ir(CZ-X)(CO)(PPh3)(2)]. All the complexes have been characterized by FT-IR, UV-Vis, NMR and FAB-MS spectroscopy. The structural confirmation has been done in one case, by a single crystal X-ray diffraction study, which shows a distorted square pyramidal geometry around the central It atom. The complexes are emissive at room temperature. The cyclic voltammetry of the complexes shows a metal centered irreversible oxidation and ligand centered quasireversible reduction couples. To get an insight into the electronic structure, absorption spectra and electrochemical properties, detailed calculations on all three complexes have been performed at the DFT level. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.03.021