[Cd(cis-1,2-cyclohexanedicarboxylate)(1,2-bis(4-pyridyl)ethylene)]n | 1309059-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Cd(cis-1,2-cyclohexanedicarboxylate)(1,2-bis(4-pyridyl)ethylene)]n
• CAS: 1309059-90-2
• 化学式: C₈H₁₀O₄*C₁₂H₁₀N₂*Cd
• 分子量: 464.8
• InChiKey: JRKHWMURWXZUPL-FJRCDZRZSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Cd(cis-1,2-cyclohexanedicarboxylate)(1,2-bis(4-pyridyl)ethylene)]n 以 neat (no solvent, solid phase) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  Novel CdII coordination polymers (1-D, 2-D to 3-D) constructed from 1,2-cyclohexanedicarboxylate and various bipyridyl ligands

  摘要：

  Four Cd-II-(e,a-cis-1,2-chdc) complexes, [Cd(H2O)(1,2-chdc)(2,2'-bpy)] 1, [Cd(1,2-chdc)(bpe)](n) 2, [Cd-2(1,2-chdc)(4,4'-bPY)(2)](n) 3A, and [Cd(H2O)(1,2-chdc)(4,4'-bPY)(2)](n)center dot 3n(H2O) 3B (1,2-chdc = 1,2-cyclohexanedi-carboxylate), with different assistant ligands (2,2'-bipyridine (2,2'-bpy), 1,2-bis(4-pyridyl)ethene (bpe), and 4,4'-bipyridine (4,4'-bpy)) have been synthesized and their structures were determined. Depending on the assistant ligands, the structures and dimensionalities of Cd-II-(e,a-cis-1,2-chdc) complexes have been varied. Two carboxylates in e,a-cis-1,2-chdc coordinate to Cd-II ions in chelating (eta(1):eta(1)), bridging (eta(1):eta(1):mu(2)), and chelating/bridging (eta(2):eta(1):mu(2)) modes. Photoluminescence study of the compounds 1 and 2 showed that emission spectrum of compound 1 was observed at 348 urn, while relatively weak luminescence was displayed at 516 rim for 2. The thermal stabilities of these complexes were also examined. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.03.046
• 作为产物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 1,2-双吡啶基乙烯 、 (1R,2S)-cyclohexane-1,2-dicarboxylic acid 在 NH₄OH 作用下， 以 氨 、 乙腈 为溶剂， 以70.6%的产率得到[Cd(cis-1,2-cyclohexanedicarboxylate)(1,2-bis(4-pyridyl)ethylene)]n
  参考文献：
  名称：

  Novel CdII coordination polymers (1-D, 2-D to 3-D) constructed from 1,2-cyclohexanedicarboxylate and various bipyridyl ligands

  摘要：

  Four Cd-II-(e,a-cis-1,2-chdc) complexes, [Cd(H2O)(1,2-chdc)(2,2'-bpy)] 1, [Cd(1,2-chdc)(bpe)](n) 2, [Cd-2(1,2-chdc)(4,4'-bPY)(2)](n) 3A, and [Cd(H2O)(1,2-chdc)(4,4'-bPY)(2)](n)center dot 3n(H2O) 3B (1,2-chdc = 1,2-cyclohexanedi-carboxylate), with different assistant ligands (2,2'-bipyridine (2,2'-bpy), 1,2-bis(4-pyridyl)ethene (bpe), and 4,4'-bipyridine (4,4'-bpy)) have been synthesized and their structures were determined. Depending on the assistant ligands, the structures and dimensionalities of Cd-II-(e,a-cis-1,2-chdc) complexes have been varied. Two carboxylates in e,a-cis-1,2-chdc coordinate to Cd-II ions in chelating (eta(1):eta(1)), bridging (eta(1):eta(1):mu(2)), and chelating/bridging (eta(2):eta(1):mu(2)) modes. Photoluminescence study of the compounds 1 and 2 showed that emission spectrum of compound 1 was observed at 348 urn, while relatively weak luminescence was displayed at 516 rim for 2. The thermal stabilities of these complexes were also examined. (c) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.03.046