[(η(5)-pentamethylcyclopentadienyl)IrCl(2-(tolylazo)imidazole)]PF6 | 959854-08-1

• 英文名称: [(η(5)-pentamethylcyclopentadienyl)IrCl(2-(tolylazo)imidazole)]PF6
• 英文别名: [(η(5)-C5Me5)IrCl(Tai-H)]PF6
• CAS: 959854-08-1
• 化学式: C₂₀H₂₅ClIrN₄*F₆P
• 分子量: 694.082
• InChiKey: VAXNTXBANVWESW-XURWPRCOSA-M

计算性质

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

• 作为产物：
  描述：

  六氟磷酸钾 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 2-(tolylazo)imidazole 以 甲醇 为溶剂， 生成 [(η(5)-pentamethylcyclopentadienyl)IrCl(2-(tolylazo)imidazole)]PF6
  参考文献：
  名称：

  New pentamethylcyclopentadienyl rhodium and iridium complexes containing arylazoimidazole ligands: Crystal and molecular structure of the complex [(η5-C5Me5)RhCl(Me–C6H4–NN–C3H3N2)]+

  摘要：

  The dimeric [{(eta(5)-C5Me5)M(mu-Cl)Cl}(2)] Complexes (eta(5)-C5Me5 = pentamethylcyclopentadienyl; M = Rh and Ir) react with several arylazoimidazole (RaaiR') ligands, viz., 2-(phenylazo)imidazole (Phai-H), 1-methyl-2-(phenylazo)imidazole (Phai-Me), 1-ethyl-2-(phenylazo)imidazole (Phai-Et), 2-(tolylazo)imidazole (Tai-H), 1-methyl-2-(tolylazo)imidazole (Tai-Me) and 1-ethyl-2-(tolylazo)imidazole (Tai-Et), to afford complexes of the type [(eta(5)-C5Me5)MCl(RaaiR')](+) where M = Rh or Ir; R, R'= H (1, 7), R = H, R'= CH3 (2, 8), R = H, R' = C2H5 (3, 9), R = CH3, R' = H (4, 10), R, R' = CH3 (5, 11), R = CH3, R' = C2H5 (6, 12), respectively. These complexes have been characterized by FT IR, FT NMR spectroscopy as well as by analytical data. The molecular structure of the hexafluorophosphate salt of the complex [(eta(5)-C5Me5)RhCl(Me-C6H4-N=N-C3H3N2)](+) 4[PF6] has been established by single crystal X-ray diffraction study. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.007