bis[2,6-bis(1H-benzimidazol-2-yl-κN(3))pyridinato-κN]zinc(II) | 612508-64-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: bis[2,6-bis(1H-benzimidazol-2-yl-κN(3))pyridinato-κN]zinc(II)
• 英文别名: Zn(2,6-bis(benzimidazol-2yl)-pyridine-1H)2
• CAS: 612508-64-2
• 化学式: C₃₈H₂₄N₁₀Zn
• 分子量: 686.066
• InChiKey: OHCLEGQBODIKDO-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：

  2,6-双(2-苯并咪唑基)吡啶 、 zinc(II) acetate dihydrate 在 K₂S₂O₈ 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 bis[2,6-bis(1H-benzimidazol-2-yl-κN(3))pyridinato-κN]zinc(II)
  参考文献：
  名称：

  Bis[2,6-bis(1H-benzimidazol-2-yl-κN³)pyridinato-κN]zinc(II)

  摘要：

  The structure of [Zn(C19H12N5)(2)], which is monomeric and consists of neutral Zn(bbip-H)(2) entities [bbip-H is the anionic form of bis(benzimidazolyl)pyridine, formed by the loss of one H atom], has been solved from a racemic twin. The Zn atom lies at a site with imposed 222 symmetry and the bbip-H ligand has imposed twofold symmetry. The imidazolyl H atom is disordered over two symmetry-related positions, thus raising the molecular symmetry as required by the space group. The angle between the planes of the two coordinated bbip-H ligands is 84.6 (3)degrees, so defining a distorted octahedral environment around the metal atom.

  DOI：

  10.1107/s0108270103011752

文献信息

• Design and syntheses of blue luminescent zinc(II) and cadmium(II) complexes with bidentate or tridentate pyridyl-imidazole ligands
  作者：Shu-Mei Yue、Hong-Bin Xu、Jian-Fang Ma、Zhong-Min Su、Yu-He Kan、Heng-Jun Zhang

  DOI：10.1016/j.poly.2005.07.021

  日期：2006.2

  A series of luminescent Zn(II) and Cd(II) complexes have been prepared based on three different pi-conjugated ligands, 2-(2-pyridyl)-imidazole (HL1), 2-(2-pyridyl)-benzimidazole (HL2) and 2.6-bis(benzimidazol-2yl)-pyridine (H(2)L3). The PL spectra of the ligands exhibit a bathochromic shift in agreement with the extended pi-conjugation of the ligand. The spectra of the complexes with the ligands follow the same rule. The structures of Zn(L2)(2)H2O (5), [Cd(L-2)(2)(H2O)(2)] center dot 2DMSO (6), Zn(HL3)(2) (9) and Cd(HL3)(2) (10) have been established by X-ray crystallography. The structure of 5 can be best described as a square pyramid. The coordination geometries of 6, 9 and 10 can be described as distorted octahedrons. In the solid state and in DMSO, these complexes show emission maxima in the blue region. The complexes have a bathochromic shift of the emission energy in sharp contrast to the free ligands. They display blue luminescence and have high luminescence quantum efficiency. A theoretical study reveals that the emissions are assigned to intraligand transitions of the deprotonated L2 and HL3 ligands, and the metal ions in the complexes play a key role in stabilizing the ligand and promoting the luminescence, which is consistent with the experimental results. (c) 2005 Elsevier Ltd. All rights reserved.