trichloro(4'-(4-(N,N-di-n-butylaminamino)phenyl)-2,2':6',2''-terpyridine)iridium(III) | 443286-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trichloro(4'-(4-(N,N-di-n-butylaminamino)phenyl)-2,2':6',2''-terpyridine)iridium(III)
• 英文别名: [IrCl3(4'-(phenyl-p-dibutylamino)-2,2':6',2''-terpyridine)]；N,N-dibutyl-4-(2,6-dipyridin-2-ylpyridin-4-yl)aniline;trichloroiridium
• CAS: 443286-03-1
• 化学式: C₂₉H₃₂Cl₃IrN₄
• 分子量: 735.179
• InChiKey: UONNJBDALXOBJZ-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  trichloro(4'-(4-(N,N-di-n-butylaminamino)phenyl)-2,2':6',2''-terpyridine)iridium(III) 、 silver 4-ethylbenzoate 以 氯仿 为溶剂， 以84%的产率得到[Ir(4-ethylbenzoate)3(4'-(phenyl-p-dibutylamino)-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：

  氯化铱(III) 水合物 、 4'-(4-(N,N-di-n-butylaminamino)phenyl)-2,2':6',2''-terpyridine 以 乙醇 为溶剂， 以35%的产率得到trichloro(4'-(4-(N,N-di-n-butylaminamino)phenyl)-2,2':6',2''-terpyridine)iridium(III)
  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

文献信息

• Terpyridine Zn(ii), Ru(iii) and Ir(iii) complexes as new asymmetric chromophores for nonlinear optics: first evidence for a shift from positive to negative value of the quadratic hyperpolarizability of a ligand carrying an electron donor substituent upon coordination to different metal centres
  作者：Dominique Roberto、Francesca Tessore、Renato Ugo、Silvia Bruni、Amedea Manfredi、Silvio Quici

  DOI：10.1039/b201221a

  日期：2002.4.11

  The synthesis of 4'-(C6H4-p-NBU2)-2,2':6',2" -terpyridine and the strongly enhanced second-order NLO response of its Zn(II), Ru(III) and Ir(III)complexes are reported, evidencing for the first time a shift from positive to negative value of the ligand quadratic hyperpolarizability by varying the nature of the metal centre. .

  4'-（（C6H4-p-NBU2）-2,2'：6'，2“-吡啶的合成及其Zn（II），Ru（III）和Ir（III）的二阶NLO响应增强报道了复合物，这是首次证明了通过改变金属中心的性质，配体二次超极化性从正值转变为负值。