[Co( 1,1-(1,4-butanediyl)bis-1H-benzimidazole)(1,4-benzenedicarboxylate)] | 1429046-97-8

• 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: [Co( 1,1-(1,4-butanediyl)bis-1H-benzimidazole)(1,4-benzenedicarboxylate)]
• CAS: 1429046-97-8
• 化学式: C₈H₄O₄*C₁₈H₁₈N₄*Co
• 分子量: 513.478
• InChiKey: RQRFIOIPJFWNGY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [Co( 1,1-(1,4-butanediyl)bis-1H-benzimidazole)(1,4-benzenedicarboxylate)] 以 neat (no solvent, solid phase) 为溶剂， 生成 cobalt(II) oxide
  参考文献：
  名称：

  Two different dimensional bbbm-based cobalt(II) coordination polymers tuned by benzenedicarboxylates: Assembly, structures and properties

  摘要：

  Two new metal-organic coordination polymers [Co-4(bbbm)(4)(1,2-BDC)(4)(H2O)]center dot 2H(2)O (1) and [Co(bbbm)(1,4-BDC)] (2) (bbbm = 1,1-(1,4-butanediyl)bis-1H-benzimidazole, 1,2-H2BDC = 1,2-benzenedicarboxylic acid and 1,4-H2BDC = 1,4-benzenedicarboxylic acid) were obtained under hydrothermal conditions and structurally characterized. Polymer 1 exhibits a two-dimensional (2D) 4-connected network with the Co-II ions as four-connected nodes, and the bbbm and 1,2-BDC ligands as linkers. Polymer 2 possesses a novel three-dimensional (3D) 3-fold interpenetrated framework. The position of carboxyl groups for benzenedicarboxylates dominates the final structures of 1 and 2. Furthermore, elemental analysis, IR spectroscopy, thermogravimetric analysis, electrochemical properties and solid state fluorescence for 1 and 2 were investigated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.024
• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 对苯二甲酸 、 1,4-bis-(N-benzimidazolyl)butane 以 水 为溶剂， 反应 72.0h， 以47%的产率得到[Co( 1,1-(1,4-butanediyl)bis-1H-benzimidazole)(1,4-benzenedicarboxylate)]
  参考文献：
  名称：

  Two different dimensional bbbm-based cobalt(II) coordination polymers tuned by benzenedicarboxylates: Assembly, structures and properties

  摘要：

  Two new metal-organic coordination polymers [Co-4(bbbm)(4)(1,2-BDC)(4)(H2O)]center dot 2H(2)O (1) and [Co(bbbm)(1,4-BDC)] (2) (bbbm = 1,1-(1,4-butanediyl)bis-1H-benzimidazole, 1,2-H2BDC = 1,2-benzenedicarboxylic acid and 1,4-H2BDC = 1,4-benzenedicarboxylic acid) were obtained under hydrothermal conditions and structurally characterized. Polymer 1 exhibits a two-dimensional (2D) 4-connected network with the Co-II ions as four-connected nodes, and the bbbm and 1,2-BDC ligands as linkers. Polymer 2 possesses a novel three-dimensional (3D) 3-fold interpenetrated framework. The position of carboxyl groups for benzenedicarboxylates dominates the final structures of 1 and 2. Furthermore, elemental analysis, IR spectroscopy, thermogravimetric analysis, electrochemical properties and solid state fluorescence for 1 and 2 were investigated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.024