sodium 4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorphenylcarboxylate | 628688-68-6

• 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: sodium 4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorphenylcarboxylate
• 英文别名: PTMMCNa
• CAS: 628688-68-6
• 化学式: C₂₀Cl₁₄O₂*Na
• 分子量: 791.551
• InChiKey: OBPCJCLLKYYTGT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.22
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  水 、 乙醇 、 europium(III) nitrate hexahydrate 、 sodium 4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorphenylcarboxylate 以 乙醇 、 水 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  Europium (III) complexes derived from carboxylic-substituted polychlorotriphenylmethyl radicals

  摘要：

  Two europium (III) complexes (3 and 4) have been obtained reacting europium (III) nitrate and two polychlorotriphenylmethyl radicals properly functionalized with one (PTMMC-, 1) and six (PTMHC6-, 2) carboxylate groups, respectively. While complex 3 reveals a lamellar polar-apolar separated ion pair structure alternating PTM-based bilayers with nonaaquaeuropium cations ([Eu(H2O)(9)](PTMMC)(3)(PTMMCH)(3) center dot 7H(2)O center dot 6EtOH), complex 4 shows a one-dimensional chain-like structure with formula [EU2(PTMHC)(H2O)(13)] center dot 16H(2)O center dot EtOH. Magnetic properties of both complexes were studied in the 2-300 K range, and show the presence of weak inter-radical antiferromagnetic interactions below 5 K. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.03.021

文献信息

• 10.1016/s0277-5387(03)00198-0
  作者：Maspoch、Ruiz-Molina、Wurst、Rovira、Veciana

  DOI：10.1016/s0277-5387(03)00198-0

  日期：——
• Europium (III) complexes derived from carboxylic-substituted polychlorotriphenylmethyl radicals
  作者：Nans Roques、Sandrine Perruchas、Daniel Maspoch、Angela Datcu、Klaus Wurst、Jean-Pascal Sutter、Concepció Rovira、Jaume Veciana

  DOI：10.1016/j.ica.2007.03.021

  日期：2007.10

  Two europium (III) complexes (3 and 4) have been obtained reacting europium (III) nitrate and two polychlorotriphenylmethyl radicals properly functionalized with one (PTMMC-, 1) and six (PTMHC6-, 2) carboxylate groups, respectively. While complex 3 reveals a lamellar polar-apolar separated ion pair structure alternating PTM-based bilayers with nonaaquaeuropium cations ([Eu(H2O)(9)](PTMMC)(3)(PTMMCH)(3) center dot 7H(2)O center dot 6EtOH), complex 4 shows a one-dimensional chain-like structure with formula [EU2(PTMHC)(H2O)(13)] center dot 16H(2)O center dot EtOH. Magnetic properties of both complexes were studied in the 2-300 K range, and show the presence of weak inter-radical antiferromagnetic interactions below 5 K. (c) 2007 Elsevier B.V. All rights reserved.