Ru(naphtho(3,2-f)(1,ω)phenanthroline-9,14-dicarbonitrile)2Cl2 | 334700-78-6

• 英文名称: Ru(naphtho(3,2-f)(1,ω)phenanthroline-9,14-dicarbonitrile)2Cl2
• 英文别名: Ru(cn2-np)2Cl2
• CAS: 334700-78-6
• 化学式: C₄₄H₂₀Cl₂N₈Ru
• 分子量: 832.672
• InChiKey: JXVVEEZPZMENMQ-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 Ru(naphtho(3,2-f)(1,ω)phenanthroline-9,14-dicarbonitrile)2Cl2 、 邻菲罗啉 以 水 、 乙二醇 为溶剂， 以3%的产率得到(Ru(naphtho(2,3-f)(1,ω)phenanthroline-9,14-dicarbonitrile)2(1,10-phenamthroline))(PF6)2
  参考文献：
  名称：

  π* Level Tuning in a Series of Diimine Ligands Based on Density Functional Theory:  Application to Photonic Devices

  摘要：

  Energy- and electron-transfer processes are very important for artificial photosynthesis and a variety of other applications. [(bpy)(2)Ru(PAP)Os(bpy)(2)](4+) and its oxidized form [(bpy)(2)Ru(PAP)Os(bpy)(2)](5+) perform efficient photoinduced energy- and electron-transfer processes, respectively (k(en) = 5.2 x 10(7) s(-1), k(et) = 7.2 x 10(6) s(-1)). The introduction of appropriate donor and acceptor units on the Ru2+ center can improve the lifetime of the excited state, resulting in a much longer and efficient storage of energy. Nonempirical (density functional) calculations and experimental data are used to predict the best donor and acceptor ligands for improving electron-and energy-transfer processes. Such a result can be extended to all polynuclear complexes where electronic coupling between the metal centers is very weak.

  DOI：

  10.1021/ic000694c