[Cd(bis(imidazol-2-yl)methane)(1,3-benzenedicarboxylate)]n | 1290612-57-5

• 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: [Cd(bis(imidazol-2-yl)methane)(1,3-benzenedicarboxylate)]n
• 英文别名: [Cd(BIM)(1,3-BDC)]n
• CAS: 1290612-57-5
• 化学式: C₇H₈N₄*C₈H₄O₄*Cd
• 分子量: 424.695
• InChiKey: JVRVFUSCNSYLKZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.0
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  [Cd(bis(imidazol-2-yl)methane)(1,3-benzenedicarboxylate)]n 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Synthesis, structure and photoluminescence of two cadmium coordination polymers with 1,3-benzenedicarboxylate and two flexible bis-imidazole ligands

  摘要：

  Two new coordination polymers, [Cd-2(2-mBIM)(2)(1,3-BDC)(2)] (1) and [Cd(BIM)(1,3-BDC)](n) (2) [BIM = bis(imidazol-1-yl)-methane, 2-mBIM = bis(2-methylimidazol-1-yl)methane], were synthesized by reactions of CdCl2 with 2-mBIM or BIM ligand in the presence of 1,3-benzenedicarboxylic acid. The polymers were then characterized by elemental analyses, IR, TGA, and X-ray diffraction. Compound 1 is a twodimensional (2D) twofold parallel interpenetration network with a (4, 4) connected topology. Compound 2 is a 2D double-layer framework containing [Cd-2(COO)(4)] subunits. The results of this study suggest that subtle changes in the ligand structure may have a great impact on the resulting architectures of the metal-organic frameworks. Solid-state luminescent spectra of compounds 1 and 2 indicate weak fluorescent emissions at ca. 389 and 302 nm, respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.02.056
• 作为产物：
  描述：

  N,N-二咪唑基甲烷 、 aqueous cadmium chloride 、 间苯二甲酸 在 NaOH 作用下， 以 水 为溶剂， 以76%的产率得到[Cd(bis(imidazol-2-yl)methane)(1,3-benzenedicarboxylate)]n
  参考文献：
  名称：

  Synthesis, structure and photoluminescence of two cadmium coordination polymers with 1,3-benzenedicarboxylate and two flexible bis-imidazole ligands

  摘要：

  Two new coordination polymers, [Cd-2(2-mBIM)(2)(1,3-BDC)(2)] (1) and [Cd(BIM)(1,3-BDC)](n) (2) [BIM = bis(imidazol-1-yl)-methane, 2-mBIM = bis(2-methylimidazol-1-yl)methane], were synthesized by reactions of CdCl2 with 2-mBIM or BIM ligand in the presence of 1,3-benzenedicarboxylic acid. The polymers were then characterized by elemental analyses, IR, TGA, and X-ray diffraction. Compound 1 is a twodimensional (2D) twofold parallel interpenetration network with a (4, 4) connected topology. Compound 2 is a 2D double-layer framework containing [Cd-2(COO)(4)] subunits. The results of this study suggest that subtle changes in the ligand structure may have a great impact on the resulting architectures of the metal-organic frameworks. Solid-state luminescent spectra of compounds 1 and 2 indicate weak fluorescent emissions at ca. 389 and 302 nm, respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.02.056