[Pb(3-carboxylic acid-4H-1,2,4-triazole(-1H))(μ1,1-NCS)(H2O)](n) | 1144522-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Pb(3-carboxylic acid-4H-1,2,4-triazole(-1H))(μ1,1-NCS)(H2O)](n)
• CAS: 1144522-55-3
• 化学式: CNS*C₃H₂N₃O₂*H₂O*Pb
• 分子量: 395.367
• InChiKey: JXSQMLYJIWFAPP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.38
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135.5
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1H-1,2,4-三氮唑-3-羧酸 、 水 、 lead(II) oxide 、 硫氰酸铵 以 水 为溶剂， 以45%的产率得到[Pb(3-carboxylic acid-4H-1,2,4-triazole(-1H))(μ1,1-NCS)(H2O)](n)
  参考文献：
  名称：

  由新型 Pb-μ1,1-(N)CS-Pb 桥扩展的新型发光铅 (II) 骨架的水热合成和表征

  摘要：

  摘要 在水热条件下，使用三唑衍生物配体 3-羧酸-4H-1,2,4-三唑 (HL)、氧化铅 (II) 和 NH4NCS，一种新型二维 (2D) 铅 (II) 骨架 { [Pb(L)(μ1,1-NCS)(H2O)]}n (1) 可以被隔离。对于 1 NCS− 阴离子采用新型 μ1,1-(N)CS 桥，通过四齿配位 L 配体进一步扩展，形成二维波纹层状结构。1的固态发光光谱表明激发峰在375 nm而低能发射峰在607 nm。

  DOI：

  10.1016/j.molstruc.2008.10.064

文献信息

• Solid state syntheses of nano lead(II) iodide triazole carboxylate coordination polymer from its bromide/thiocyanate/chloride analogs via mechanochemical crystal to crystal transformations
  作者：Vahid Safarifard、Ali Morsali

  DOI：10.1016/j.ica.2013.05.008

  日期：2013.8

  Irreversible crystal-to-crystal transformations of 3D lead(II) coordination polymers with the ligand 1H-1,2,4-triazole-3-carboxylic acid (HL), [Pb(L)(mu(2)-Br)(H2O)](n) (1), [Pb(L)(mu(1,1)-NCS)(H2O)](n) (2) and [Pb(L)(mu(2)-Cl)(H2O)](n) (3) to 3D supramolecular compound [Pb(L)(mu(2)-I)](n) (4) by solid state anion-replacement processes under mechanochemical reactions, have been studied. The thermal stabilities of compounds 1-4 were studied by thermogravimetric and differential thermal analyses. The irreversible solid state structural transformations of compounds 1-4, by anion-replacement processes under mechanochemical reaction, have been verified by PXRD measurements. Nanoparticles of compounds 1 and 2 were synthesized by sonochemical process and characterized by scanning electron microscopy (SEM), powder X-ray diffraction, IR spectroscopy, elemental analyses, thermogravimetric and differential thermal analyses. The SEM images showed that no morphology change occurs during solid state anion-replacements of nanocrystals. (C) 2013 Elsevier B.V. All rights reserved.