2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine | 1400935-88-7

• 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: 2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine
• CAS: 1400935-88-7
• 化学式: C₁₉H₁₃N₉
• 分子量: 367.373
• InChiKey: AKBLAYUKAMFXSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.78
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121.81
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  水 、 aqueous cadmium chloride 、 2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine 以 乙腈 为溶剂， 反应 72.0h， 以55%的产率得到
  参考文献：
  名称：

  Three Cd(II) coordination polymers based on rigid 2,6-bis(3-(pyrid-3-yl)-1,2,4-triazolyl)pyridine ligand: Syntheses, crystal structures, and photocatalytic properties

  摘要：

  Three Cd(II) coordination polymers, namely, {[Cd-2(bptp)(2)(H2O)(4)]center dot 3H(2)O}(n) (1), {[Cd-2(Hbptp)(BTC) (H2O)]center dot 4H(2)O}(n) (2) and {[Cd-2(H(2)bptp)(BTEC)]center dot H2O}(n) (3) (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid and H4BTEC = 1,2,4,5-benzenetetracarboxylic acid), have been successfully isolated by employing the rigid N-heterocyclic ligand 2,6-bis(3-(pyrid-3-yI)-1,2,4-triazolyl)pyridine (H(2)bptp) and different aromatic polycarboxylates. Complex 1 performs a helical chain structure, which is extended into 3D supermolecular framework due to its strong hydrogen bonding interactions. 2 demonstrates a binodal 3,4-connected 2D grid with the point symbol of (4(2).6(2).8)(4(2).6), while complex 3 features an interesting 2D structure with its 1D double chain looking like a folded paper lantern. The optical band gaps were analyzed by diffuse-reflectance UV-Vis spectra. The photocatalytic experiments for these complexes reflect well on their activities for the decomposition of MB under the irradiation of high-pressure mercury lamp. Complexes 1 and 2 present extremely good photocatalytic properties with their photocatalytic activities increasing from 17% (without any catalyst) to 87% for 1 and 96% for 2 after 2 h of irradiation. In addition, the luminescent properties of 1-3 have also been investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.06.021

文献信息

• Syntheses, structures, and fluorescent properties of two helical complexes based on a long rigid N-heterocyclic ligand
  作者：Gang Han、Yajuan Mu、Dongqing Wu、Yanyuan Jia、Hongwei Hou、Yaoting Fan

  DOI：10.1080/00958972.2012.719610

  日期：2012.10.20

  in 1 and 2 adopts syn-anti and syn-syn conformations, respectively. The results indicate that the long rigid N-heterocyclic ligand can adopt different conformations to coordinate with metals, beneficial to construction of helical structures with diverse topologies. The difference between the photoluminescence properties of the two complexes reveals that metal ions and coordination environment have

  一个长 N-杂环配体，2,6-双（3-（吡啶-3-基）-1,2,4-三唑基）吡啶（H2bptp）和Zn（II）/Pb（II）产率[Zn (bptp)(H2O)] · 2 ·CH3CN} n (1) 和 [Pb(bptp)] · } n (2)。单晶 X 射线衍射分析表明，1 和 2 具有包含交替的左旋和右旋螺旋图案的二维网络。在拓扑上，1 具有 (4,4) 拓扑，而 2 具有 (6,3) 拓扑。1和2中的bptp2-分别采用syn-anti和syn-syn构象。结果表明，长的刚性N-杂环配体可以采用不同的构象与金属配位，有利于构建具有多种拓扑结构的螺旋结构。