1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole
• 化学式: C₁₂H₉N₅
• 分子量: 223.23
• InChiKey: PXXUPJGPPDCKES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  aqueous cadmium chloride 、 1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole 、 水 、 sodium dicyanamide 以 乙腈 为溶剂， 反应 4.0h， 以60%的产率得到
  参考文献：
  名称：

  1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (2,3′-Hbpt) as ligand in Cd(II) complexes: synthesis, crystal structures, and fluorescence

  摘要：

  Hydrothermal reactions of 1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (2,3-Hbpt) with CdCl2 and CdI2 yielded three new coordination polymers, {[CdCl(2,3-bpt)(H2O)]2H(2)O}(n) (1), {[Cd2I3(2,3-H(0.5)bpt)(2)]}(n) (2), and [CdI3(2,3-Hbpt)](2,3-H(2)bpt)H2O (3). Structural analysis reveals that 1 has a 1-D double chain structure; in 2, 2,3-bpt bridges adjacent Cd(II) ions to form a 1-D twofold helical chain, which further connects via (2)-I-, giving a 2-D grid structure in the ab plane; 3 is mononuclear. These complexes are further connected through weak hydrogen bonding interactions, and/or weak stacking interactions, to generate 3-D supramolecular structures. The fluorescence properties of 1 and 2 have been investigated in the solid state at room temperature.

  DOI：

  10.1080/00958972.2015.1040401

文献信息

• Organic light emitting materials and devices
  申请人：——

  公开号：US20040091738A1

  公开（公告）日：2004-05-13

  Emissive materials are provided having the following structures: 1 2 Devices incorporating the emissive materials are also provided.

  提供具有以下结构的发光材料：12还提供了包含这些发光材料的装置。
• Ranft; Lehwark-Yvetot; Schaper, Pharmazie, 2001, vol. 56, # 3, p. 266 - 266
  作者：Ranft、Lehwark-Yvetot、Schaper、Buege

  DOI：——

  日期：——
• US6858327B2
  申请人：——

  公开号：US6858327B2

  公开（公告）日：2005-02-22
• [EN] ORGANIC LIGHT EMITTING MATERIALS AND DEVICES<br/>[FR] MATÉRIAUX ET DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：UNIVERSAL DISPLAY CORP

  公开号：WO2004045001A2

  公开（公告）日：2004-05-27

  Emissive materials are provided having the following structures:(1, 2, 3, 4, 5, 6) Devices incorporating the emissive materials are also provided.
• 1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (2,3′-Hbpt) as ligand in Cd(II) complexes: synthesis, crystal structures, and fluorescence
  作者：Dong-Wei Shi、Hai-Ye Li、Jing-Bin Lei、Fu-Ping Huang、Xiao-Huan Qin、Qing Yu、He-Dong Bian

  DOI：10.1080/00958972.2015.1040401

  日期：2015.6.3

  Hydrothermal reactions of 1H-3-(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (2,3-Hbpt) with CdCl2 and CdI2 yielded three new coordination polymers, [CdCl(2,3-bpt)(H2O)]2H(2)O}(n) (1), [Cd2I3(2,3-H(0.5)bpt)(2)]}(n) (2), and [CdI3(2,3-Hbpt)](2,3-H(2)bpt)H2O (3). Structural analysis reveals that 1 has a 1-D double chain structure; in 2, 2,3-bpt bridges adjacent Cd(II) ions to form a 1-D twofold helical chain, which further connects via (2)-I-, giving a 2-D grid structure in the ab plane; 3 is mononuclear. These complexes are further connected through weak hydrogen bonding interactions, and/or weak stacking interactions, to generate 3-D supramolecular structures. The fluorescence properties of 1 and 2 have been investigated in the solid state at room temperature.