[Ir(hexyl-2-phenyl-1H-benzo[d]imidazole)₂Cl]₂ | 1203575-28-3

• 英文名称: [Ir(hexyl-2-phenyl-1H-benzo[d]imidazole)₂Cl]₂
• 英文别名: [Ir2Cl2(HexPhBI)4]；[Ir2(μ-Cl)2(1-hexyl-2-phenyl-1H-benzo[d]imidazole-1H)4]
• CAS: 1203575-28-3
• 化学式: C₇₆H₈₄Cl₂Ir₂N₈
• 分子量: 1564.9
• InChiKey: DSWKWGQPXQYKLP-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：

  hexyl-2-phenyl-1H-benzo[d]imidazole 、 [Ir(hexyl-2-phenyl-1H-benzo[d]imidazole)₂Cl]₂ 在 K₂CO₃ 作用下， 以 甘油 为溶剂， 生成 fac-[Ir(HexPhBI)3]
  参考文献：
  名称：

  Small Molecular Glasses Based on Multiposition Encapsulated Phenyl Benzimidazole Iridium(III) Complexes: Toward Efficient Solution-Processable Host-Free Electrophosphorescent Diodes

  摘要：

  Three electrophosphorescent small molecular Ir(3+) complexes, Ir-(HexPhBI)(3) 1 (HexPhBI = 1-Hexyl-2-phenyl-1H-benzo[d]imidazole), Ir(CzPhBI)(3) 2 (CzPhBI = 9-(6-(2-phenyl-1H-benzo[d]imidazol-1-yl)hexyl)-9H-carbazole), and Ir(Cz(2)PhBI)(3) 3 (CZ(2)PhBI = 9-(6-(4-(1-(6-(9H-carbazol-9-yl)hexyl)-1H-benzo[d]imidazol-2-yl)phenoxy)hexyl)-9H-carbazole), were synthesized in which 3 was designed with the Structure of multiposition encapsulation. Compared to the hexyl-substituted 1, 2 and 3 end-capped with the conjugated carbazole moieties have improved thermal stability. X-ray diffraction analysis proved the amorphous state of 2 and 3. High-photoluminescent efficiencies of 3 are achieved as 72% in Solution and 61% in solid. It indicates that the peripheral carbazoles not only facilitate the separation of triplet-emission cores and reduce the intermolecular aggregation but also supply a routine for the intermolecular energy transfer. Electrochemical analysis showed the more oxidation states of 3, which might be anticipated to make it superior to 1 and 2 in hole injection and transporting. The important role of the peripheral carbazole moieties in carrier injection/transporting and the optical properties of the complexes were further investigated by Gaussian simulation. A dramatic electroluminescent (EL) performance, including external quantum efficiency of nearly 6%, low turn-on voltage of 2.5 V, and high brightness over 6000 cd m(-2), from the host-free spin-coated device of 3 was achieved. The superiority of multiencapsulation in EL was proved by comparing the EL performance of 2 and 3. By making comparison between the host-free and phosphor-doping devices, it indicated that the combined modification of the aliphatic chains and functional groups in multipositions is a feasible approach to realize the high-efficiency small molecular phosphorescent materials.

  DOI：

  10.1021/jp909297d
• 作为产物：
  描述：

  hexyl-2-phenyl-1H-benzo[d]imidazole 、 iridium(III) chloride trihydrate 以 乙二醇乙醚 、 水 为溶剂， 反应 24.0h， 生成 [Ir(hexyl-2-phenyl-1H-benzo[d]imidazole)₂Cl]₂
  参考文献：
  名称：

  烷基链长对采用2-苯基-1 H-苯并咪唑型配体的铱（iii）基磷光体的变色发光的影响†

  摘要：

  在这项工作中，已经成功地合成和表征了一系列含有2-苯基-1 H-苯并咪唑型配体的发光阳离子铱（III）配合物，这些配体经各种长度的正烷基链修饰。已对其光物理和电化学性质进行了详细研究。n的差异-烷基链长对它们各自络合物的发射光谱或溶液中它们的激发态特性的影响可以忽略不计，这得到密度泛函理论计算和循环伏安法的支持。在固态下，这些配合物表现出肉眼可见的压致变色发光（PCL）行为。通过高对比度的研磨-发烟或研磨-加热过程，可以可逆地快速切换它们的发光颜色。此外，正烷基链长度可以有效地控制其PCL和热力学性质，显示出与链长度有关的发射行为：较长的烷基链显示出更显着的机械变色现象。通过使用铱，实现了可再现和可逆的双色发射写入/擦除过程。三）以材料为媒介。粉末X射线衍射法和差示扫描量热法研究表明，施加外部刺激后，结晶态和非晶态之间的可逆转变是造成所观察到的压致变色的原因。

  DOI：

  10.1039/c4tc00993b

文献信息

• Simultaneous modification of N-alkyl chains on cyclometalated and ancillary ligands of cationic iridium(<scp>iii</scp>) complexes towards efficient piezochromic luminescence properties
  作者：Yi Han、Hong-Tao Cao、Hai-Zhu Sun、Guo-Gang Shan、Yong Wu、Zhong-Min Su、Yi Liao

  DOI：10.1039/c4tc02879a

  日期：——

  In this study, we have designed and synthesized a series of multifunctional cationic iridium(III) complexes with different lengths of N-alkyl chains on 2-phenyl-1H-benzimidazole-based cyclometalated ligands and phenyl-pyridine type ancillary ligands. The photophysical properties of each complex have been investigated in detail and also ascertained by comprehensive density functional theory calculations

  在这项研究中，我们设计和合成了一系列多功能的阳离子铱（III）配合物，这些配合物在2-苯基-1 H-苯并咪唑基环金属化配体和苯基吡啶类辅助配体上具有不同长度的N-烷基链。已经详细研究了每种复合物的光物理性质，并通过综合密度泛函理论计算确定了这些复合物的光物理性质。尽管对它们的发射光谱和溶液中的激发态特性影响很小，但改变了氮-烷基链长可以在固态下有效地改变其光物理性质。所有复合物均表现出迷人的可见光致变色发光（PCL）行为。最有趣的是，这些具有较长N-烷基链的铱（III）基发光体通过机械研磨和溶剂发烟显示出显着的发射颜色变化和独特的可逆特征。粉末X射线衍射（PXRD），1 H NMR和MALDI-TOF / TOF质谱数据表明，结晶态和非晶态之间的相变对于当前的压致变色至关重要。此外，由于在聚集态中具有高量子效率的优点，所研究的铱（III）配合物可作为一种有效的传感器，用于敏感和选择性地检测爆炸性的2