[IrCl3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)] | 870814-18-9

• 英文名称: [IrCl3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)]
• CAS: 870814-18-9
• 化学式: C₂₁H₁₄Cl₃IrN₄O₂
• 分子量: 652.947
• InChiKey: NVNKNHPBEZIBBJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [IrCl3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)] 、 silver 4-ethylbenzoate 以 N,N-二甲基乙酰胺 为溶剂， 以35.7%的产率得到[Ir(4-ethylbenzoate)3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)]
  参考文献：
  名称：

  Terpyridine Zn(II), Ru(III), and Ir(III) Complexes:  The Relevant Role of the Nature of the Metal Ion and of the Ancillary Ligands on the Second-Order Nonlinear Response of Terpyridines Carrying Electron Donor or Electron Acceptor Groups

  摘要：

  Coordination of 4 '-(C6H4-p-X)-2,2 ':6 ',2 ''-terpyridines [X = NO2, NBu2, (E)-CH=CH-C6H4-p-NBu2, (E,E)-(CH=CH)(2)C6H4-p-NMe2] to Zn(II), Ru(III), and Ir(III) metal centers induces a significant enhancement of the absolute value of the second-order nonlinear optical (NLO) response of the terpyridine, measured by means of both electric field induced second harmonic generation and solvatochromic methods. By varying the nature of the metal center, the enhanced second-order NLO response shifts from positive to negative. Such a shift is controlled by electronic charge-transfer transitions, such as metal-to-ligand or ligand-to-metal transitions, in addition to the intraligand charge transfer. The enhancement generated by coordination is also controlled by the chelation effect and by fine-tuning of the ancillary ligands.

  DOI：

  10.1021/ic050975q
• 作为产物：
  描述：

  、 4'-(4-硝基苯基)-2,2':6',2''-三联吡啶 以 N,N-二甲基乙酰胺 为溶剂， 以35.3%的产率得到[IrCl3(4'-(phenyl-p-nitro)-2,2':6',2''-terpyridine)]
  参考文献：
  名称：

  Terpyridine Zn(II), Ru(III), and Ir(III) Complexes:  The Relevant Role of the Nature of the Metal Ion and of the Ancillary Ligands on the Second-Order Nonlinear Response of Terpyridines Carrying Electron Donor or Electron Acceptor Groups

  摘要：

  Coordination of 4 '-(C6H4-p-X)-2,2 ':6 ',2 ''-terpyridines [X = NO2, NBu2, (E)-CH=CH-C6H4-p-NBu2, (E,E)-(CH=CH)(2)C6H4-p-NMe2] to Zn(II), Ru(III), and Ir(III) metal centers induces a significant enhancement of the absolute value of the second-order nonlinear optical (NLO) response of the terpyridine, measured by means of both electric field induced second harmonic generation and solvatochromic methods. By varying the nature of the metal center, the enhanced second-order NLO response shifts from positive to negative. Such a shift is controlled by electronic charge-transfer transitions, such as metal-to-ligand or ligand-to-metal transitions, in addition to the intraligand charge transfer. The enhancement generated by coordination is also controlled by the chelation effect and by fine-tuning of the ancillary ligands.

  DOI：

  10.1021/ic050975q