[Cd(1,1'-(1,6-hexane)bis-(2-methylbenzimidazole))(adipic acid(-2H))]n | 1443209-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Cd(1,1'-(1,6-hexane)bis-(2-methylbenzimidazole))(adipic acid(-2H))]n
• CAS: 1443209-43-5
• 化学式: C₆H₈O₄*C₂₂H₂₆N₄*Cd
• 分子量: 603.012
• InChiKey: DXWQXDHBODYBKV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.31
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  己二酸 、 cadmium(II) nitrate tetrhydrate 、 1,6-bis(2-methylbenzimidazol-1-yl)hexane 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以65%的产率得到[Cd(1,1'-(1,6-hexane)bis-(2-methylbenzimidazole))(adipic acid(-2H))]n
  参考文献：
  名称：

  A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates

  摘要：

  Five coordination complexes [Cd(hbmb)(tbi)](n) (1), [Cd(hbmb)(adi)](n) (2), [Zn(hbmb)(0.5)(atda)](n) (3), {[Zn-2(hbmb)(suc)(1.5)(OH)]center dot 2H(2)O}(n) (4), and {[Zn-2(hbmb)(fum)(1.5)(OH)]center dot 2H(2)O}(n) (5) (H(2)tbi = 5-tert-butylisophthalic acid, H(2)adi = adipic acid, H(2)atda = 1,3-adamantanediacetic acid, H(2)suc = succinic acid, H(2)fum = fumaric acid, hbmb = 1,1'-(1,6-hexane)bis-(2-methylbenzimidazole)) have been hydrothermally synthesized and structurally characterized. Complex 1 is an undulated 2D structure with (6(3))(2) topology, containing left-and right-handed helical chains. Complex 2 possesses a puckered two-dimensional (2D) network with 4(4).6(2) topologies symbol. Complex 3 exhibits a 2D (4, 4) parallelogram network and also owns left- and right-handed helical chains. Complexes 4 and 5 display 2D rectangular grids and can be simplified as a four-connected 4(4).6(2) topological network. Moreover, the photoluminescence properties and thermal stabilities of the five complexes were investigated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.07.033