tris(8-hydroxyquinoline) indium | 664365-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tris(8-hydroxyquinoline) indium
• 英文别名: Tri(quinolin-8-yloxy)indigane
• CAS: 664365-62-2
• 化学式: C₂₇H₁₈InN₃O₃
• 分子量: 547.278
• InChiKey: AEGSYIKLTCZUEZ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

ADMET

毒理性

• 在妊娠和哺乳期间的影响

哺乳期使用总结

◉ Summary of Use during Lactation

来源:Drugs and Lactation Database (LactMed)

反应信息

• 作为反应物：
  描述：

  tris(8-hydroxyquinoline) indium 、 氘代盐酸 以 重水 为溶剂， 生成
  参考文献：
  名称：

  The 1H NMR spectra of the 8-quinolinolato complexes of aluminium(III), gallium(III), indium(III) and thallium(III)

  摘要：

  DOI：

  10.1016/s0020-1693(00)88354-1
• 作为产物：
  描述：

  8-羟基喹啉 、 indium nitrate hydrate 在 溶剂黄146 、 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 0.08h， 生成 tris(8-hydroxyquinoline) indium
  参考文献：
  名称：

  非晶和结晶三（8-羟基喹啉）铟薄膜的光学特性

  摘要：

  摘要 Tris（8-羟基喹啉）铟（Inq3）薄膜通过热蒸发技术物理沉积，随后在空气中以不同温度进行热退火。研究了退火对薄膜结构和光学性能的影响。X 射线衍射表明，在 100 和 200 °C 下沉积和退火的薄膜具有非晶结构，而在 270 和 300 °C 下退火的薄膜具有晶体结构，其中获得了优选的生长取向。由于退火引起的薄膜光学特性的演变与其结构特性相关。通过分光光度计测量 200-2500 nm 光谱范围内的透射率和反射率来研究光学特性，从中使用 Murmann 的精确方程计算折射率和吸收指数。单振荡器和德鲁德模型用于确定薄膜的色散参数。吸收系数的分析表明，薄膜的直接允许光学带隙为 2.77 eV，退火后增加到 2.85 eV。通过差示扫描量热法和热重测量研究热性能。

  DOI：

  10.1016/j.jallcom.2016.05.121

文献信息

• Understanding M–ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes
  作者：Carlos F. R. A. C. Lima、Ricardo J. S. Taveira、José C. S. Costa、Ana M. Fernandes、André Melo、Artur M. S. Silva、Luís M. N. B. F. Santos

  DOI：10.1039/c6cp02608g

  日期：——

  8-hydroxyquinoline ligand in different positions, were prepared. The mer-/fac-isomerism in Mq3 was explored by FTIR and NMR spectroscopy, evidencing that, irrespective of the substituent, mer- and fac-are the most stable molecular configurations of Al(III) and In(III) complexes, respectively. The relative M–ligand bond dissociation energies were evaluated experimentally by electrospray ionization tandem mass spectrometry

  三（8-羟基喹啉）三价金属配合物Mq 3是有机半导体材料中最重要的一类。在此，通过结合实验和计算方法研究了Mq 3配合物中化学键的性质及其对分子性质的影响。制备了由金属的改变和8-羟基喹啉配体在不同位置的取代产生的各种Mq 3配合物。所述聚体- / FAC MQ中-isomerism 3通过FTIR和NMR光谱研究，证明的是，不考虑取代基的，聚体-和FAC-分别是Al（III）和In（III）配合物最稳定的分子构型。通过电喷雾电离串联质谱法（ESI-MS-MS）实验评估了相对的M-配体键解离能，结果显示该组沿非单调变化（Al> In> Ga）。结果表明，M-配体键合具有很强的共价特性，可实现配体通过电子离域，并解释了Mq 3配合物的优选分子结构，这是由于键合和空间因素之间的相互作用所致。所述聚体异构体减少intraligand斥力，优选为更小的金属，而FAC-异构体适用于较大的金属，由于金属“
• Solution speciation and human serum protein binding of indium(III) complexes of 8-hydroxyquinoline, deferiprone and maltol
  作者：Orsolya Dömötör、Bernhard K. Keppler、Éva A. Enyedy

  DOI：10.1007/s00775-022-01935-6

  日期：2022.4

  insufficient stability under these conditions. Binding towards human serum albumin (HSA) and (apo)transferrin ((apo)Tf) of InQ3, InD3 and InM3 complexes and Ga(III) analogue of InQ3 (GaQ3) together with InCl3 was investigated by a panel of methods: steady-state and time-resolved spectrofluorometry, UV–visible spectrophotometry and membrane ultrafiltration. Moderate binding of InQ3 to HSA was found (log K′ = 5

  研究了带有O、O和O、N供体组的选定 In(III) 配合物的溶液形态和血清蛋白结合，以提供 In(III) 和类似 Ga(III) 配合物的比较数据。通过 pH 电位法和紫外可见分光光度法相结合的方法，对麦芽酚、去铁酮、8-羟基喹啉 (HQ) 和 8-羟基喹啉-5-磺酸盐 (HQS) 的 In(III) 配合物的水稳定性进行了表征。观察到单配体、双配体和三配体复合物的形成。 HQ (InQ 3 ) 和去铁酮 (InD 3 ) 的三配体复合物存在于约 10 ℃的溶液中。 10 µM 浓度、pH = 7.4 时为 90%，而三麦芽糖复合物 (InM 3 ) 在这些条件下表现出不够稳定性。通过以下方法研究了 InQ 3 、InD 3和 InM 3复合物以及 InQ 3的 Ga(III) 类似物 (GaQ 3 ) 与 InCl 3与人血清白蛋白 (HSA) 和 (apo) 转铁蛋白 ((apo)Tf)
• A Series of Quinolinol-Based Indium Luminophores: A Rational Design Approach for Manipulating Photophysical Properties
  作者：Sang Woo Kwak、Moon Bae Kim、Heuiseok Shin、Ji Hye Lee、Hyonseok Hwang、Ji Yeon Ryu、Junseong Lee、Min Kim、Yongseog Chung、Joong Chul Choe、Youngjo Kim、Kang Mun Lee、Myung Hwan Park

  DOI：10.1021/acs.inorgchem.9b00802

  日期：2019.6.17

  An approach to the design of a series of quinolinol-based indium complexes that can exhibit different optical properties is proposed. Mono-incorporated (Inq₁ and InMeq₁), bis-incorporated (InMeq₂), and tris-incorporated (Inq₃ and InMeq₃) indium quinolinate complexes have been prepared. These complexes have also been characterized by X-ray crystallography. The photophysical properties of these complexes have also been examined by a combination of experimental and theoretical techniques. The indium complexes with a single quinolinol ligand (Inq₁ and InMeq₁) showed higher quantum efficiency than those with two or three quinolinate ligands; in particular, InMeq₁ exhibited the highest quantum yield [Φ_PL = 59% in poly(methyl methacrylate) film]. The insights into the nature of these findings were obtained by the sequential synthesis of the quinolinol-based indium luminophores and a detailed investigation of their structural stability.
• Influence of High Hydrostatic Pressure on Alq₃, Gaq₃, and Inq₃ (q = 8-Hydroxyquinoline)
  作者：Ignacio Hernández、William P. Gillin

  DOI：10.1021/jp905108x

  日期：2009.10.29

  We have studied the spectroscopic properties of OLED materials Alq(3), Gaq(3) and Inq(3) (q = 8-hydroxyquinoline) under pressure. We discuss the results in terms of the influence of structural modifications, the isomeric state and the enhancement of the intermolecular interaction. As-grown Alq(3), Gaq(3), Inq(3) containing meridional (mer) isomer experience a red shift of nearly 90 nm (2400 cm(-1)) in the 0-8 GPa range. Abrupt changes in the photoluminescence occur during compression at intermediate pressures for all materials. We assign them to a phase transition, its critical pressure depending on the central cation. All three samples experience an amorphization at P similar to 6 GPa, with associated changes in the spectroscopic properties. The pressure-induced phase transitions present hysteresis to ambient conditions. Photoluminescence lifetime decreases in all cases in the explored pressure range. In the case of facial isomer containing polymorphs of Alq(3), luminescence does not change its energy significantly. The most significant spectroscopic change observed in fac-isomer containing materials corresponds to gamma-Alq(3), Which presents a low energy component that gains relative importance when pressure is increased. We ascribe this phenomenon to the presence of sensitized mer isomer impurities.
• Optical properties of amorphous and crystalline tris(8-hydroxyquinoline) indium films
  作者：E.M. El-Menyawy

  DOI：10.1016/j.jallcom.2016.05.121

  日期：2016.10

  effect of annealing on the structural and optical properties of the films was investigated. X-ray diffraction showed that the as-deposited and annealed films at 100 and 200 °C have amorphous structure, whereas the annealed films at 270 and 300 °C have crystalline structure in which a preferred orientation of growth is obtained. The evolution of the optical properties of the films due to annealing has been

  摘要 Tris（8-羟基喹啉）铟（Inq3）薄膜通过热蒸发技术物理沉积，随后在空气中以不同温度进行热退火。研究了退火对薄膜结构和光学性能的影响。X 射线衍射表明，在 100 和 200 °C 下沉积和退火的薄膜具有非晶结构，而在 270 和 300 °C 下退火的薄膜具有晶体结构，其中获得了优选的生长取向。由于退火引起的薄膜光学特性的演变与其结构特性相关。通过分光光度计测量 200-2500 nm 光谱范围内的透射率和反射率来研究光学特性，从中使用 Murmann 的精确方程计算折射率和吸收指数。单振荡器和德鲁德模型用于确定薄膜的色散参数。吸收系数的分析表明，薄膜的直接允许光学带隙为 2.77 eV，退火后增加到 2.85 eV。通过差示扫描量热法和热重测量研究热性能。