| 332417-11-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 332417-11-5
• 化学式: C₁₂₀*N
• 分子量: 1455.33
• InChiKey: OPQHVHGMIKYZDT-KMXRZMKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.13
• 重原子数：
  121.0
• 可旋转键数：
  0.0
• 环数：
  65.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  30.5
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  、 足球烯 在 calcium chloride 作用下， 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  `Nitrogen doped' C60 dimers (N@C60–C60)

  摘要：

  The formation of C(60) dimers with a nitrogen atom in one of the C(60) cages is studied. The dimers are produced by ball milling of a mixture of N@C(60) With C(60) and a suitable additive. The products are purified by high pressure liquid chromatography (HPLC) and identified by UV/Vis and IR spectroscopy. Electron paramagnetic resonance (EPR) measurements show that nitrogen remains in C60 during the dimerization and keeps its atomic configuration. A slight deformation of the electron shell reflecting the distortion of the cage is observed. The optimization of the dimer formation is described. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(00)01406-8