5-azotriazolylsalicylic acid | 1450838-31-9

• 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: 5-azotriazolylsalicylic acid
• CAS: 1450838-31-9
• 化学式: C₉H₇N₅O₃
• 分子量: 233.186
• InChiKey: RPYASWUZCFPBJY-WYMLVPIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  123.82
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  dysprosium acetate tetrahydrate 、 5-azotriazolylsalicylic acid 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 [Dy(HATSA)(OAc)(H₂O)₂]*4H₂O
  参考文献：
  名称：

  Fluorescence and magnetism of two novel isostructural Dy(III) and Tb(III) complexes based on 5-azotriazolyl salicylic acid ligand

  摘要：

  Two isostructural Dy(III) and Tb(III) complexes based on 5-azotriazolyl salicylic acid (H(3)ATSA) ligand of [Ln(HATSA)(OAc)(H2O)(2)]center dot 4H(2)O [Ln = Dy (1), Tb (2)] have been synthesized and characterized by single-crystal X-ray diffraction analysis. Each Dy(III) and Tb(III) ion coordinates to eight oxygen atoms to form an eight-coordinated square antiprism geometry. The two-dimensional coordinated layers are further linked to a stable three-dimensional supramolecular network by pi-pi stacking interactions. The fluorescent and magnetic properties of 1 and 2 were investigated and discussed. The solid sample of 2 shows four characteristic emission bands at 490, 546, 585 and 622 nm for Tb(III) ion under excitation at 313 nm. The alternating current (ac) magnetic susceptibility for 1 shows an increase of frequency-dependent. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2017.08.049

文献信息

• Synthesis, Structure, and Halo-, Photo-, and Thermochromism Properties of 5-Azotriazolyl Salicylic Acid and Its Cd^IIComplex
  作者：Jiao-Min Lin、Meng Yang、Yan-Xuan Qiu、Wen-Bin Chen、Hua Yan、Fei-Xian Gao、Zhen-Jie OuYang、Wen Dong、Tong-Chun Kuang

  DOI：10.1002/cplu.201300113

  日期：2013.6

  A hydrated 5‐azotriazolyl salicylic acid of [(H3ATSA)]⋅2 H2O (1) and its CdII complex of [Cd2(H2ATSA)4]⋅13 H2O (2) have been synthesized and characterized by single‐crystal X‐ray diffraction analysis and a neutral trans‐Z‐enol form of H3ATSA and another anionic trans‐E‐enol H2ATSA− isomer have been found in 1 and 2, respectively. The yellow crystal of 2 can be transformed in situ into red crystals

  合成了[（H 3 ATSA）]⋅2H 2 O（1）的水合5-偶氮三唑水杨酸及其[Cd 2（H 2 ATSA）4 ]⋅13H 2 O（2）的Cd II配合物并且其特征在于单晶X射线衍射分析和中性反式- ž H的烯醇形式3 ATSA和另一种阴离子反式- ë烯醇ħ 2 ATSA -异构体已在已发现1和2分别。2的黄色结晶可以在NaOH溶液中原位转化为红色晶体。已经研究了晶体粉末样品以及1和2的水溶液的漫反射率和光致发光光谱。在B3LYP / 6-31G的DFT和TDDFT计算*为级别1和B3LYP / LANL2DZ水平为2已被用于证明的特性吸收光谱和反式烯醇到顺式酮光和thermoisomeric为ATSA反应3-负离子。共聚焦激光扫描显微镜拍摄的洋葱细胞图像以1和2作为荧光标记进行了观察。