[Cu(triphenylphosphine)2(2-phenyl-5-(pyridin-2-yl)-1,3,4-oxadiazole)]BF4 | 1245722-49-9

• 英文名称: [Cu(triphenylphosphine)2(2-phenyl-5-(pyridin-2-yl)-1,3,4-oxadiazole)]BF4
• 英文别名: [Cu(2-(5-phenyl-[1,3,4]oxadiazol-2-yl)-pyridine)(triphenylphosphane)2][BF4]；[Cu(OP)(PPh3)2][BF4]
• CAS: 1245722-49-9
• 化学式: BF₄*C₄₉H₃₉CuN₃OP₂
• 分子量: 898.166
• InChiKey: KMFCTHDQQIVIRX-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  5-(2-吡啶基)-1H-四唑 以 吡啶 、 二氯甲烷 为溶剂， 反应 73.0h， 生成 [Cu(triphenylphosphine)2(2-phenyl-5-(pyridin-2-yl)-1,3,4-oxadiazole)]BF4
  参考文献：
  名称：

  Synthesis, characterization and striking photoluminescence variation of a series of copper(I) complexes containing oxadiazole ligand

  摘要：

  A series of novel photoluminescent copper(I) complexes with the formula [Cu(P-P)(L)]BF4, where P-P = triphenylphosphine (PPh3) (1, 2), bis[2-(diphenylphosphino)phenyl]-ether (POP)(3, 4), L = 2-phenyl-5-(pyridin-2-yl)-1,3,4-oxadiazole (L1)(1, 3), 2-(pyridin-2-yl)-5-p-tolyl-1,3,4-oxadiazole (L2) (2, 4), have been successfully synthesized and characterized by elemental analysis, H-1 NMR and IR spectra. X-ray crystal structure analysis has been carried out on 1, 2 and 3. Photoluminescence properties of 2 are unique in three respects: (1) an obvious emission blue shift, (2) a high quantum yield (0.94) comparing with the other three complexes (<0.03), and (3) a longer excited state lifetime than those of the others. Systematic analysis suggests that its drastic enhancement in photoluminescence performances is triggered by the extraordinary rigid pseudo sandwich structure constructed from strong intra- and inter-molecular pi-pi stacking interactions in its crystal structure. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.020

文献信息

• A series of blue-green-yellow-red emitting Cu(I) complexes: Molecular structure and photophysical performance
  作者：Liming Zhang、Qinghui Zuo

  DOI：10.1016/j.saa.2019.117280

  日期：2019.12

  chains (short π chain, modest π chain and long π chain) were selected. A systematical comparison between these Cu(I) complexes was performed, so that the correlation between NN structure and [Cu(NN)(PPh3)2] photophysical performance was tentatively discussed. Their single crystal structure was found consistent with literature ones, forming a typical tetrahedral coordination geometry. Density functional

  在这项工作中，我们设计了一系列[Cu（N N）（PPh 3）2 ] BF 4配合物，它们具有不同的光学边缘值和发射色，从蓝色到红色，其中N N和PPh 3表示二胺配体和三苯基膦，分别。选择了六个具有各种共轭链（短π链，中等π链和长π链）的N N配体。对这些Cu（I）配合物进行了系统的比较，从而使N N结构与[Cu（N N）（PPh 3）2初步讨论了光物理性能。发现它们的单晶结构与文献中的一致，形成典型的四面体配位几何形状。密度泛函理论计算表明，它们的起始电子跃迁表现出金属到配体电荷转移和配体到配体电荷转移的混合特征。光物理参数的详细分析表明[Cu（N N）（PPh 3）2 ] BF 4的吸收边缘通过在二胺配体中的缀合长度来控制复合物。宽的吸收边缘需要二胺配体中的短共轭链。对于它们的发射光谱发现类似的趋势。此外，二胺配体中的长共轭链明显加宽了发射光谱。由于激发态主要受二胺配体的动力学过程和空
• Synthesis, characterization, crystal structures, and photophysical properties of a series of room-temperature phosphorescent copper(I) complexes with oxadiazole-derived diimine ligand
  作者：Fuxiang Wei、L. Fang、Y. Huang

  DOI：10.1016/j.ica.2010.04.041

  日期：2010.8

  paper, we report four phosphorescent Cu(I) complexes of [Cu(OP)(PPh 3 ) 2 ]BF 4 , [Cu(Me-OP)(PPh 3 ) 2 ]BF 4 , [Cu(OP)(POP)]BF 4 , and [Cu(Me-OP)(POP)]BF 4 with oxadiazole-derived diimine ligands, where OP = 2-(5-phenyl-[1,3,4]oxadiazol-2-yl)-pyridine, Me-OP = 2-(5-p-tolyl-[1,3,4]oxadiazol-2-yl)-pyridine, POP = bis(2-(diphenylphosphanyl)phenyl) ether, and PPh 3 = triphenylphosphane, including their

  摘要本文报道了[Cu（OP）（PPh 3）2] BF 4，[Cu（Me-OP）（PPh 3）2] BF 4，[Cu（OP） （POP）] BF 4和具有恶二唑衍生的二亚胺配体的[Cu（Me-OP）（POP）] BF 4，其中OP = 2-（5-苯基-[1,3,4]恶二唑-2-基）-吡啶，Me-OP = 2-（5-对甲苯基-[1,3,4]恶二唑-2-基）-吡啶，POP =双（2-（2-（二苯基膦基）苯基）醚，PPh 3 =三苯基膦，包括其合成，晶体结构，光物理性质和电子性质。Cu（I）中心在Cu（I）配合物中具有扭曲的四面体几何形状。理论计算表明，所有发射均源于三重态金属向配体电荷转移的激发态。