[Co(2,2'-bis-4,4'-ethylpyridylamine(1-))Cl]3 | 850933-40-3

• 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: [Co(2,2'-bis-4,4'-ethylpyridylamine(1-))Cl]3
• 英文别名: Co3(depa)3Cl3；bis(4-ethylpyridin-2-yl)azanide;cobalt(2+);trichloride
• CAS: 850933-40-3
• 化学式: C₄₂H₄₈Cl₃Co₃N₉
• 分子量: 962.242
• InChiKey: YAERDYIRVDLUPM-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  57
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,2'-bis-4,4'-ethylpyridylamine 、 cobalt(II) chloride 在 CH₃Li 作用下， 以 四氢呋喃 为溶剂， 以23%的产率得到[Co(2,2'-bis-4,4'-ethylpyridylamine(1-))Cl]3
  参考文献：
  名称：

  Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co₄O₄ Core with Co(II) in Tetrahedral and Octahedral Environments

  摘要：

  The X-ray crystallographic structures, the magnetic susceptibilities from 2 to 300 K, and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(II) centers are described. The interpretation of the magnetic data for the triangular compound [Co(depa)Cl](3) (depa is the anion of 2,2'-(bis-4-ethylpyridyl)amine), which has tetrahedrally coordinated Co2+ ions, entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets. Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co-4(DPM)(4)(CH3O)(4)(CH3OH)(4) (DPM represents the anion of dipivaloylmethane), which has octahedral coordination, and the system can be approximately considered as two weakly coupled S = 3 species.

  DOI：

  10.1021/ja044185b