1,2-bis(tetrazol-5-ylmethyl)benzene | 66012-65-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-bis(tetrazol-5-ylmethyl)benzene
• 英文别名: 1(2)H,1'(2')H-5,5'-o-phenylenedimethyl-bis-tetrazole；5-[[2-(2H-tetrazol-5-ylmethyl)phenyl]methyl]-2H-tetrazole
• CAS: 66012-65-5
• 化学式: C₁₀H₁₀N₈
• 分子量: 242.243
• InChiKey: QHINFLMYZIWXPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,2-bis(tetrazol-5-ylmethyl)benzene 、 zinc(II) chloride 以 水 为溶剂， 以30%的产率得到Zn4(1,2-bis(tetrazol-5-ylmethyl)benzeme(2-))4 2O
  参考文献：
  名称：

  Zinc(II) and cadmium(II) coordination polymers with bis(tetrazole) ligands: Syntheses, structures and luminescent properties

  摘要：

  Two bis(tetrazole) ligands, 1,2-bis(tetrazol-5-ylmethyl)benzene (H2L1) and 1.2-bis(tetrazol-5-yl)benzene (H2L2), were designed and synthesized, and three new zinc(II) and cadmium(II) coordination polymers, {[M-2(L-1)(2)(H2O)(2)](2)center dot 8H(2)O)(infinity) (1), [Zn-4(L-1)(4)](infinity) (2) and {[Cd(L-2)(NH3)(3)]center dot 2H(2)O)(infinity) (3), were synthesized using the ligands H2L1 and H2L2 as building blocks. All the complexes were structurally characterized by elemental analyses, IR spectroscopy and X-ray diffraction. Complexes 1 and 3 have infinite one-dimensional (1-D) chain structures, and such 1-D chains structures were linked by complicated hydrogen bonds to form three-dimensional (3-D) supermolecular networks. Complex 2 has a 3-D network structure. In these complexes, the ligands H2L1 and H2L2 can act as multidentate ligands when coordinating to the metal ions under different conditions, and three coordination modes for the tetrazolate rings have been observed in these complexes. The results show that the variation of the ligand spacers as well as the reaction conditions lead to the formation of complexes with different structures. Furthermore, the fluorescent properties of complexes 1-3 and ligands H2L1 and H2L2 have been investigated and discussed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.01.012