Cd(1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene)(1,3-benzenedicarboxylate)(H2O) | 1312465-47-6

• 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(1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene)(1,3-benzenedicarboxylate)(H2O)
• CAS: 1312465-47-6
• 化学式: C₈H₄O₄*C₂₄H₂₂N₄*Cd*H₂O
• 分子量: 661.008
• InChiKey: UCNNBOAKIIHXHK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.69
• 重原子数：
  42.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  147.4
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 间苯二甲酸 、 1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene 在 NaOH 作用下， 以 水 为溶剂， 以52%的产率得到Cd(1,4-bis(2-methylbenzimidazol-1-ylmethyl)benzene)(1,3-benzenedicarboxylate)(H2O)
  参考文献：
  名称：

  Temperature-controlled dimensionality variety from 3D to 2D and 1D based on Cd(II)/ip/bmb polymers

  摘要：

  By controlling the hydrothermal reaction temperature, three coordination polymers with the same ingredients but different dimensional architectures from 3D to 2D and 1D have been obtained, namely,[Cd(bmb)(Hip)(2)](n) (1), {[Cd(bmb)(ip)]center dot H2O}(n) (2), and [Cd(bmb)(ip)(CH3CH2OH)(H2O)](n) (3) (bmb = (1,4-bis(2-methylbenzimidazol-1-ylmethyl) benzene); H(2)ip= 1.3-benzenedicarboxylic acid). A careful investigation of the structures discloses that temperature parameters have significant effects on the conformations and coordination modes of the ligands and enhanced temperature favors the formation of higher dimensional products. In addition, the thermal stabilities and photoluminescence properties of polymers 1-3 in the solid state have also been investigated. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2011.04.018