| 1338245-43-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1338245-43-4
• 化学式: C₅₆H₅₂N₆O₆Ru
• 分子量: 1006.14
• InChiKey: USBYPPVLLRQKJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  顺-双(2,2'-二吡啶基)二氯化钌(II)二水合物 、 5-[4-[4-(2,5-Dimethylphenyl)-2,5-dimethoxyphenyl]-2,3,5,6-tetramethoxyphenyl]-2-pyridin-2-ylpyridine 以 not given 为溶剂， 生成
  参考文献：
  名称：

  Hole Tunneling and Hopping in a Ru(bpy)₃²⁺-Phenothiazine Dyad with a Bridge Derived from oligo-p-Phenylene

  摘要：

  A molecular dyad was synthesized in which a Ru(bpy)(3)(2+) (bpy = 2,2'-bipyridine) photosensitizer and a phenothiazine redox partner are bridged by a sequence of tetramethoxybenzene, p-dimethoxybenzene, and p-xylene units. Hole transfer from the oxidized metal complex to the phenothiazine was triggered using a flash-quench technique and investigated by transient absorption spectroscopy. Optical spectroscopic and electrochemical experiments performed on a suitable reference molecule in addition to the above-mentioned dyad lead to the conclusion that hole transfer from Ru(bpy)(3)(3+) to phenothiazine proceeds through a sequence of hopping and tunneling steps: Initial hole hopping from Ru(bpy)(3)(3+) to the easily oxidizable tetramethoxybenzene unit is followed by tunneling through the barrier imposed by the p-dimethoxybenzene and p-xylene spacers. The overall charge transfer proceeds with a time constant of 41 ns, which compares favorably to a time constant of 1835 ns associated with equidistant hole tunneling between the same donor acceptor couple bridged by three identical p-xylene units. The combined hopping/tunneling sequence thus leads to an acceleration of hole transfer by roughly a factor of 50 when compared to a pure tunneling mechanism.

  DOI：

  10.1021/ic201446x