[Ag(tetrazole-1-acetate)]n | 1036896-49-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Ag(tetrazole-1-acetate)]n
• CAS: 1036896-49-7
• 化学式: Ag*C₃H₃N₄O₂
• 分子量: 234.951
• InChiKey: IPADVASSPGBGKF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.58
• 重原子数：
  10.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.73
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  四氮唑乙酸 、 silver(I) acetate 以 水 为溶剂， 生成 [Ag(tetrazole-1-acetate)]n
  参考文献：
  名称：

  Syntheses, crystal structure and properties of two novel coordination polymers with the flexible tetrazole-1-acetic acid (Htza)

  摘要：

  Two new coordination polymers, [Ag(tza)](infinity) (1) (Htza = tetrazole-1-acetic acid) and (Cu(tza)(2)](infinity) (2) have been prepared at room temperature and characterized by X-ray crystallography, IR, UV-vis, fluorescence spectra and magnetism analysis. Compound 1 exhibits extended helical chains through bridging ligand tza. The Ag...Ag interactions between the adjacent chains form a 3-D framework featuring the extended tza-connected Ag chains that obviously affect the photoluminescent property. Compound 2 features undulated layered structure with hourglass-shaped [Cu-4(tza)(4)] as subunits with the weak ferromagnetic interactions between Cu(II) ions, which are further stabilized by inter-lamellar C-H...O hydrogen bonds in the resulting 3-D supramolecular framework. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2008.02.019

文献信息

• Modulating energetic performance through decorating nitrogen-rich ligands in high-energy MOFs
  作者：Senni Cao、Xiufang Ma、Xiaohui Ma、Peipei Cen、Yuewei Wu、Jinhui Yang、Xiangyu Liu、Gang Xie、Sanping Chen

  DOI：10.1039/c9dt04803k

  日期：——

  (5-amino-1H-tetrazole-1-yl) acetic acid) were successfully synthesized and characterized. X-ray single crystal structure analysis shows that both 1 and 2 have 2D layer-like topologies. The experimental and theoretical evaluations reveal the promising properties of both energetic compounds, such as prominent heats of detonation, high thermal stabilities, good sensitivities and excellent detonation performances. In

  在不同的富氮配体存在下，分子式为[Ag（tza）] n（1）和[Ag（atza）] n（2）的两个高能MOF（Htza =四唑-1-乙酸和Hatza =（5 -氨基-1H-四唑-1-基乙酸）已成功合成并表征。X射线单晶结构分析表明1和2都具有2D层状拓扑。实验和理论评估表明，这两种高能化合物均具有令人鼓舞的性能，例如引爆热高，热稳定性高，灵敏度高以及引爆性能优异。与1相反，有趣的是，在2中引入氨基会导致配体的各种配位方式和骨架的堆积方式不同，从而观察到较短的Ag-O，Ag-Ag，CN，NN，和N [双键 长度以m-N键的长度表示为2。因此，2具有比1更好的爆轰热和热稳定性。非等温热动力学参数通过使用Kissinger和Ozawa方法获得，而标准的摩尔生成焓由确定恒定体积的燃烧能量。此外，两种化合物均被用作实用添加剂来促进高氯酸铵（AP）的热分解。这项工作可能会提供一种有效的方法，通过扰动高