[Cd(ADTZ)(H₂O)] | 1025003-84-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [Cd(ADTZ)(H₂O)]
• CAS: 1025003-84-2；877038-25-0
• 化学式: C₆H₄N₂O₄S₃*Cd*H₂O
• 分子量: 394.732
• InChiKey: BSHMSJXBJXDBLC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.61
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  cadmium(II) acetate dihydrate 、 2,2'-[1,3,4-噻二唑-2,5-二基二(硫代)]二-乙酸 以 甲醇 为溶剂， 生成 [Cd(ADTZ)(H₂O)]
  参考文献：
  名称：

  Keshari, B.N.; Mishra, L.K., Journal of the Indian Chemical Society, 1980, vol. 57, p. 279 - 281

  摘要：

  DOI：

文献信息

• A series of flexible bis(imidazole)-based coordination polymers tuned by central metal ions and dicarboxylates: Diverse structures and properties
  作者：Xiu-Li Wang、Yun Qu、Guo-Cheng Liu、Jian Luan、Hong-Yan Lin、Xiao-Min Kan

  DOI：10.1016/j.ica.2013.12.024

  日期：2014.3

  Seven new coordination polymers, namely, [Ni(L)(1.5)(2-CMSN)(H2O)]center dot 2H(2)O 1, [Co-2(L)(2)(2-CMSN)(2)(H2O)]center dot H2O 2, [Cd(L)(2-CMSN)(H2O)] 3 [Zn(L)(2-CMSN)]center dot 2H(2)O 4, [Cd(ADTZ)(H2O)] 5, [Cd(L)(ADTZ)(H2O)] 6, and [Zn(L)(ADTZ)]center dot H2O 7 [where 2-H2CMSN = 2-carboxymethylsulfanyl nicotinic acid, H(2)ADTZ = 2,5(s-acetic acid) dimercapto-1,3,4-thiadiazole, L = 1,4-bis(imidazol-1-ylmethyl)benzene] have been synthesized under hydrothermal conditions. The complexes were structurally characterized by single crystal X- ray diffraction analyses, infrared spectroscopy (IR), elemental analyses, powder X- ray diffraction (PXRD) and thermogravimetric analyses (TGA). Complex 1 features a 1D ladder-like double chain. Complexes 2 and 3 exhibit the similar 2D networks based on six-nuclear metallic rings. Complex 4 is a 2D sheet. Complex 5 exhibits a 3D (4,6)-connected (4(3).5(3))(4(5).5(3).6(7)) topology. Complex 6 shows a 2D undulated network with the Schl fli symbol of (3.5(2))(3(2).5(3).6(4).7). Complex 7 is a 3D 4-fold interpenetrated dia network. Structural comparison of these polymers suggests that different central metals and dicarboxylates play important roles in the construction of 1-7. The luminescent properties of complexes 3, 4, 6, 7 and the electrochemical properties of complexes 1, 2 have been investigated. Furthermore, the complexes 2-4, 6 and 7 exhibit photocatalytic activities for dye methylene blue degradation under UV light and show good stability toward photocatalysis. (C) 2014 Elsevier B.V. All rights reserved.