C70 * Ni(II)(octaethylporphyrinate) * benzene * chloroform | 239796-51-1

• 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: C70 * Ni(II)(octaethylporphyrinate) * benzene * chloroform
• CAS: 239796-51-1
• 化学式: CHCl₃*C₆H₆*C₃₆H₄₄N₄Ni*C₇₀
• 分子量: 1629.72
• InChiKey: UUODYLZFWPMMRO-HNCASCCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE NICKEL(II) 、 富勒烯 以 氯仿 、 苯 为溶剂， 以37%的产率得到C70 * Ni(II)(octaethylporphyrinate) * benzene * chloroform
  参考文献：
  名称：

  Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C₆₀, C₆₀O, C₇₀, and C₁₂₀O) and Metal Octaethylporphyrin Units

  摘要：

  Solutions of C-60, C60O, or C-70 and metal complexes of octaethylporphyrin (OEPH2) yield crystals that contain both the fullerene and the porphyrin. The structures of C-60. 2Co(II)(OEP). CHCl3, C-60. 2Zn(II)(OEP). CHCl3, and C60O . 2Co(II)(OEP). CHCl3 are isomorphous and contain an ordered C-60 cage surrounded by two M-II(OEP) units. Although there is no covalent bond between the fullerene and porphyrin components, the separation between these units is shorter than normal van der Waals contact. Crystals of C-70. Co-II(OEP). C6H6. CHCl3, C-70. Ni-II(OEP). C6H6. CHCl3, and C-70. Cu-II(OEP). C6H6. CHCl3 are also isomorphous with an ordered fullerene, but have only one porphyrin/fullerene contact. Crystalline C-60. ClFeIII(OEP). CHCl3 lacks the close face-to-face porphyrin/porphyrin contact that is common to all of the other structures reported here but retains the intimate contact between the porphyrin and the fullerene. In (C120O). Co-II(OEP). 0.6C(6)H(6). 0.4CHCl(3) the fullerene dimer is enclosed by two Con(OEP) moieties. Unfortunately disorder in the fullerene portion obscures details of the geometry of the bridging region between the fullerenes.

  DOI：

  10.1021/ja990618c