[copper(I)(triphenylphosphine)2( 2-(2′-pyridyl)imidazole )] [BF₄] | 945850-87-3

• 英文名称: [copper(I)(triphenylphosphine)2( 2-(2′-pyridyl)imidazole )] [BF₄]
• CAS: 945850-87-3
• 化学式: BF₄*C₄₄H₃₇CuN₃P₂
• 分子量: 820.096
• InChiKey: SWCSCFCDMJPPLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 2-(咪唑-2-基)吡啶 、 三苯基膦 以 二氯甲烷 为溶剂， 以78%的产率得到[copper(I)(triphenylphosphine)2( 2-(2′-pyridyl)imidazole )] [BF₄]
  参考文献：
  名称：

  Synthesis, crystal structure, photoluminescence and theoretical studies of a series of copper(I) compounds based on imidazole derivatives

  摘要：

  Two mononuclear and one binuclear Cu(I) complexes that contain imidazole derivative ligands including 2-(2'-pyridyl) imidazole (L1), 2-(2'-pyridyl) benzimidazole(L2), and 2,6-bis (benzimidazol-2yl)-pyridine (L3) were synthesized. The formulas of these complexes are [CuL1(PPh3)(2)][BF4] (1), [CuL2(PPh3)(2)][BF4] (2), [Cu-2(L-3)(2)(PPh3)(2)][BF4](2) (3), respectively. The crystal structures of complexes 1-3 have been determined by single-crystal X-ray diffraction analyses. The Cu(I) ions in the complexes have a distorted tetrahedral geometry. Photophysical properties of complexes 1-3 were systematically studied. These complexes maximum emission are mainly concentrated in the 623-680 nm. An electroluminescent (EL) device using 2 as the emitter was fabricated. The device produced a red emission which matches with the PL spectrum. However, the EL device of 2 is unfavorable. The absorption properties of complexes 1 and 2 were theoretically analyzed by time-dependent density functional theory (DFT). The calculated results are in good agreement with the experimental data. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.07.020