[Zn(H2O)(μ3-1κO,O':2κN:3κN'-5-(4'-carboxyphenyl)tetrazole-2H)]n | 1093870-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Zn(H2O)(μ3-1κO,O':2κN:3κN'-5-(4'-carboxyphenyl)tetrazole-2H)]n
• 英文别名: [Zn(H2O)(μ3-1κO,O':2κN:3κN'-cptta)]n
• CAS: 1093870-95-1
• 化学式: C₈H₄N₄O₂*H₂O*Zn
• 分子量: 271.551
• InChiKey: KVLQTBGNHNMDCM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.97
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  124.4
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  zinc(II) acetate dihydrate 、 对氰基苯甲酸 、 sodium azide 在 oxalic acid 作用下， 以 水 为溶剂， 以36%的产率得到[Zn(H2O)(μ3-1κO,O':2κN:3κN'-5-(4'-carboxyphenyl)tetrazole-2H)]n
  参考文献：
  名称：

  Blue-green photoluminescent 5- and 10-connected metal 5-(4′-carboxy-phenyl)tetrazolate coordination polymers

  摘要：

  DOI：

  10.1016/j.inoche.2007.07.001

文献信息

• A novel metal–organic framework with bifunctional tetrazolate-5-carboxylate ligand: Crystal structure and luminescent properties
  作者：Yan Li、Xin-Hua Zhong、Fa-Kun Zheng、Mei-Feng Wu、Zhi-Fa Liu、Guo-Cong Guo

  DOI：10.1016/j.inoche.2010.12.013

  日期：2011.2

  Hydrothermal reaction of NaN3, Na(4-cba) (4-Hcba = 4-cyanobenzoic acid) and ZnBr2 afforded a novel 3D Zn(II) coordination polymer [Zn-2(4-tzba)(2)(H2O)](n) 1 (4-H(2)tzba = 4-(5H-tetrazol)benzoic acid). in situ [2 + 3] cycloaddition reaction of nitrile and azide in the presence of ZnBr2 yielded tetrazolate-5-carboxylate 4-tzba(2-) ligand. Compound 1 displays an unprecedented four-connected topological network with 1D hexagonal channels constructed from trigonal rings [Zn-3(4-tzba)(6)]. The solid-state photoluminescent studies revealed that 1 exhibits a strong blue emission mainly originating from 4-tzba(2-) ligand-centered charge transition. (C) 2010 Elsevier B.V. All rights reserved.