[Ir2(3-methyl-1-phenylpyrazole(1-))4Cl2] | 631921-37-4

• 英文名称: [Ir2(3-methyl-1-phenylpyrazole(1-))4Cl2]
• 英文别名: Ir2Cl2(3-methyl-1-phenylpyrazole(1-))4
• CAS: 631921-37-4
• 化学式: C₄₀H₃₆Cl₂Ir₂N₈
• 分子量: 1084.13
• InChiKey: HIYFKYVHBLLGPI-UHFFFAOYSA-L

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：

  5-(2-吡啶基)-1H-四唑 、 [Ir2(3-methyl-1-phenylpyrazole(1-))4Cl2] 以 乙醇 、 二氯甲烷 为溶剂， 以65%的产率得到bis(3-methyl-1-phenylpyrazolato-N,C(2'))iridium(III) [5-(2'-pyridyl)tetrazolate]
  参考文献：
  名称：

  Photophysical and electrochemical properties of heteroleptic tris-cyclometallated Ir(III) complexes

  摘要：

  Some new heteroleptic tris-cyclometallated iridium(III) complexes have been synthesized and fully characterized. Among these iridium(111) complexes, bi s(1-phenylpyrazolato-N, C-2')iridium(III) [5 -(2'-pyridyl) tetrazolate] (3) and bis(3-methyl-l-phenylpyrazolatoN, N,C-2')iridium(III) [5-(2'-pyridyl)tetrazo late] (4) show excellent quantum yields at room temperature, the electron density being perturbed by introducing the pyridyltetrazole ligand, making k(r) > k(nr). This destroys the concept of phenylpyrazole based iridium complexes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.030
• 作为产物：
  描述：

  3-甲基-1-苯基吡唑 、 氯化铱(III) 水合物 以 乙二醇乙醚 、 水 为溶剂， 生成 [Ir2(3-methyl-1-phenylpyrazole(1-))4Cl2]
  参考文献：
  名称：

  Photophysical and electrochemical properties of heteroleptic tris-cyclometallated Ir(III) complexes

  摘要：

  Some new heteroleptic tris-cyclometallated iridium(III) complexes have been synthesized and fully characterized. Among these iridium(111) complexes, bi s(1-phenylpyrazolato-N, C-2')iridium(III) [5 -(2'-pyridyl) tetrazolate] (3) and bis(3-methyl-l-phenylpyrazolatoN, N,C-2')iridium(III) [5-(2'-pyridyl)tetrazo late] (4) show excellent quantum yields at room temperature, the electron density being perturbed by introducing the pyridyltetrazole ligand, making k(r) > k(nr). This destroys the concept of phenylpyrazole based iridium complexes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.030

文献信息

• New Luminescent Cyclometalated Iridium(III) Diimine Complexes as Biological Labeling Reagents
  作者：Kenneth Kam-Wing Lo、Chi-Keung Chung、Terence Kwok-Ming Lee、Lok-Hei Lui、Keith Hing-Kit Tsang、Nianyong Zhu

  DOI：10.1021/ic0346984

  日期：2003.10.1

  5-iodoacetamido-1,10-phenanthroline, phen-IAA). The X-ray crystal structure of [Ir(mppz)(2)(bpy-NH(2))](PF(6)) has also been investigated. Upon irradiation, all the complexes display intense and long-lived luminescence under ambient conditions and in 77-K glass. On the basis of the photophysical and electrochemical data, the emission of most of these complexes is assigned to an excited state of predominantly

  我们报告了三十种发光环金属化铱（III）二亚胺配合物[Ir（NC）（2）（NN）]（PF（6））（HN-C = 2-苯基吡啶，Hppy）的合成，表征以及光物理和电化学性质； 2-（4-甲基苯基）吡啶，Hmppy； 3-甲基-1-苯基吡唑，Hmppz； 7,8-苯并喹啉，Hbzq； 2-苯基喹啉，Hpq； NN = 4-氨基-2,2'-联吡啶，bpy -NH（2）; 4-isothiocyanato-2,2'-联吡啶，bpy-ITC; 4-碘乙酰氨基-2,2'-联吡啶，bpy-IAA; 5-氨基-1,10-菲咯啉，phen-NH（ 2）； 5-异硫氰酸根-1,10-菲咯啉，phen-ITC； 5-碘乙酰氨基-1,10-菲咯啉，phen-IAA）。还研究了[Ir（mppz）（2）（bpy-NH（2））]（PF（6））的X射线晶体结构。辐照后，所有配合物在环境条件下和在77-K玻璃中均显示出强烈
• Novel Luminescent Cyclometalated Iridium(III) Diimine Complexes That Contain a Biotin Moiety
  作者：Kenneth Kam-Wing Lo、Joe Sai-Wan Chan、Lok-Hei Lui、Chi-Keung Chung

  DOI：10.1021/om0499355

  日期：2004.6.1

  We report the synthesis and photophysical and electrochemical properties of a series of cyclometalated iridium(III) diimine complexes equipped with a biotin moiety [Ir(N−C)2(bpy-en-biotin)](PF6) (HN−C = 2-phenylpyridine, Hppy (1); 2-(4-methylphenyl)pyridine, Hmppy (2); 1-phenylpyrazole, Hppz (3); 3-methyl-1-phenylpyrazole, Hmppz (4); 7,8-benzoquinoline, Hbzq (5); 2-phenylquinoline, Hpq (6); bpy-en-biotin

  我们报告了一系列配备有生物素部分[Ir（N-C）2（bpy-en-biotin）]（PF 6）的环金属化铱（III）二亚胺配合物的合成，光物理和电化学性质（HN-C = 2-苯基吡啶，Hppy（1）; 2-（4-甲基苯基）吡啶，Hmppy（2）; 1-苯基吡唑，Hppz（3）; 3-甲基-1-苯基吡唑，Hmppz（4）; 7,8-苯并喹啉，Hbzq（5）； 2-苯基喹啉，Hpq（6）；bpy-生物素＝ 4-（N -（（（2-biotinamido）乙基）氨基甲基）-4'-甲基-2,2'-联吡啶。在光激发下，复合物1 - 6在298 K的流体溶液和低温玻璃中显示强烈且长寿命的发射。该发射被分配给三重态金属到配体的电荷转移（3 MLCT）（dπ（Ir）→π*（bpy-en-biotin））激发态。然而，复杂的激发态6是可能具有相当大的三重intraligand（3 IL）（π→π*）（PQ -
• Synthesis, photophysical and electrochemical properties, and biological labelling studies of luminescent cyclometallated iridium(III) bipyridine–aldehyde complexes
  作者：Kenneth Kam-Wing Lo、Joe Sai-Wan Chan、Chi-Keung Chung、Vic Wing-Hang Tsang、Nianyong Zhu

  DOI：10.1016/j.ica.2004.01.029

  日期：2004.7

  We report the synthesis, characterisation, and photophysical and electrochemical properties of a series of luminescent cyclo-metallated iridium(III) bipyridine-aldehyde complexes [Ir(N-C)(2)(bpy-CHO)](PF6) (HN-C = 2-phenylpyridine, Hppy (1); 2-(4-methylphenyl)pyridine, Hmppy (2); 1-phenylpyrazole, Hppz (3); 3-methyl-1-phenylpyrazole, Hmppz (4); 7,8-benzoquinoline, Hbzq (5); 2-phenylquinoline, Hpq (6); bpy-CHO = 4-formyl-4-methyl-2,2'-bipyridine). The X-ray crystal structures of complexes 1 and 4 have been determined. On the basis of the photophysical data, the emission of these complexes is assigned to an excited state of predominantly triplet metal-to-ligand charge-transfer ((MLCT)-M-3) (dpi(Ir) --> pi*(bpy-CHO)) character. For complex 6, the excited state is also mixed with substantial ((IL)-I-3) (pi --> pi*) (pq(-)) character. The protein bovine serum albumin has been labelled with these complexes to produce luminescent bioconjugates. The photophysical properties of the luminescent conjugates have also been investigated. (C) 2004 Elsevier B.V. All rights reserved.