Fe(η5-C60Ph5)(η5-C5H5)*CS2 | 863596-36-5

• 英文名称: Fe(η5-C60Ph5)(η5-C5H5)*CS2
• CAS: 863596-36-5
• 化学式: CS₂*C₉₅H₃₀Fe
• 分子量: 1303.27
• InChiKey: BYRSCIBCXMNTJL-IIOXMFRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  二硫化碳 、 (η5-cyclopentadienyl)[(2,3,12,13,14-η5)-1,4,11,15,30-pentaphenyl-1,2,4,11,15,30-hexahydro[60]fulleren-2-yl]iron 以 二硫化碳 、 乙醇 为溶剂， 生成 Fe(η5-C60Ph5)(η5-C5H5)*CS2
  参考文献：
  名称：

  Mössbauer Spectroscopy of Bucky Ferrocenes:  Lattice Dynamics and Motional Anisotropy of the Metal Atom

  摘要：

  Temperature-dependent Fe-57 Mossbauer effect spectroscopy has been used to elucidate the metal atom dynamics in three neutral and two cationic bucky ferrocenes. For the three diamagnetic complexes Fe(C60H5)Cp (1), Fe(C60Me5)Cp (2), and Fe(C60Ph5)Cp (3), the metal atom motion is anisotropic and the temperature dependence of the mean-square amplitude of vibration of the metal atom at a number of temperatures is reported. The Mossbauer lattice temperatures have been determined and compared to the parent ferrocene (6). The synthesis and X-ray crystal structure of 3 have been determined at 153(2) K, and the H-1 and C-13 NMR spectra have been recorded. The cationic complexes derived from 2 and 3 show spin-lattice relaxation. The relaxation rate appears insensitive to the nearest-neighbor environment of the metal atom in this pair.

  DOI：

  10.1021/ic050251e