[Fe((η5-C5H4)C(CH3)NC6H11)2](1+) | 1193340-46-3

• 英文名称: [Fe((η5-C5H4)C(CH3)NC6H11)2](1+)
• CAS: 1193340-46-3
• 化学式: C₂₆H₃₆FeN₂
• 分子量: 432.432
• InChiKey: OTTKHXYUPZFTRE-UHFFFAOYSA-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：

  [Fe((η5-C5H4)C(CH3)NC6H11)2] 在 I₂ 作用下， 以 not given 为溶剂， 生成 [Fe((η5-C5H4)C(CH3)NC6H11)2](1+)
  参考文献：
  名称：

  From diacetylferrocene to 1,1′-ferrocenyldiimines: Substituent effects on synthesis, molecular structure, electrochemical behavior and optical absorption property

  摘要：

  A series of 1,1'-ferrocenyldiimines [Fe{(eta(5)-C5H4)-C(Me)N-R)(2)], where R = n-hexyl 1a, cyclohexyl 1b, phenyl 1c, 4-methoxyphenyl 1d, 3-methoxyphenyl 1e, 4-nitrophenyl 1f, and 3-nitrophenyl 1g, have been synthesized by reactions of ca. 1:2 M ratio of 1,1'-diacetylferrocene and the corresponding amines. While ca. 1:1 M ratio of the starting materials was employed, acetylferrocenylimines [Fe{(eta(5)-C5H4)-C(CH3)=O}{(eta(5)-C5H4)-C(CH3)=N-R}], where R = 4-nitrophenyl 2f, and 3-nitrophenyl 2g, were obtained. Single crystal X-ray structural analysis revealed that the two cyclopentadienyl rings in 1d, le, 1g, 2f, and 2g were antiperiplanar staggered, anticlinal eclipsed, anticlinal eclipsed/synclinal eclipsed, synclinal eclipsed, and synclinal eclipsed to each other in solid state, respectively. All synthesized ferrocene derivatives exhibited a reversible one-electron redox process in their cyclic voltammograms, and the values of their redox potentials relied on the R groups. The correlation between the redox potential and the Hammett substituent constant, sigma(p) was quite well, with a correlation coefficient of 0.98. The UV-vis spectra showed that their optical property was also substituent dependent. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.06.047