[Cd(BIC)(1,10-phenanthroline)]_n | 1408246-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Cd(BIC)(1,10-phenanthroline)]_n
• 英文别名: [Cd(BIC)(phen)]_n
• CAS: 1408246-42-3
• 化学式: C₈H₄N₂O₂*C₁₂H₈N₂*Cd
• 分子量: 452.751
• InChiKey: BFORYFPNGAJNGU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  27.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.9
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 cadmium(II) nitrate tetrhydrate 、 苯并咪唑-5,6-二甲酸 以 水 、 乙腈 为溶剂， 反应 120.0h， 以65%的产率得到[Cd(BIC)(1,10-phenanthroline)]_n
  参考文献：
  名称：

  Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes

  摘要：

  Three metal-organic complexes Cd(HBIDC)(phen)(2)center dot 4H(2)O (1), [Cd(BIC)(Phen)](n) (2) and {[Eu(HBIDC)(H2BIDC)(H2O)]center dot H2O}(n) H2O) 1 (3) (H3BIDC=benzimidazole-5,6-dicarboxylic acid, H2BIC=benzimidazole-6-carboxylic acid, phen=1,10-phenanthroline) have been synthesized under hydro(solvo)thermal conditions and structurally characterized by elemental analysis, IR spectrum, and single-crystal X-ray diffraction. With similar reaction conditions, reactions of the same ligand with different metal cations selected from different blocks (d-block and f-block) result in different coordination modes of carboxylate groups and final frameworks of complexes 1 and 3. The decarboxylation was observed in complex 2 and resulted in the formation of BIC2- ligand. Complexes 1-3 have intense fluorescent emissions at room temperature in dimethylsulfoxide (DMSO) solution and in the solid-state, which indicate they are potential fluorescence materials. The quantum yields and fluorescence lifetimes of these three complexes were systematically studied. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2012.06.018