| 168299-38-5

• CAS: 168299-38-5
• 化学式: C₅₄H₆₆Fe₂O₁₅
• 分子量: 1066.8
• InChiKey: ULTYBLAUFPQOOV-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

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 六氟磷酸银 、 以 乙腈 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Photoactive [2]Rotaxanes: Structure and Photophysical Properties of Anthracene- and Ferrocene-Stoppered [2]Rotaxanes

  摘要：

  The structures of several one- and two-station [2]rotaxanes have been probed in both solid and solution phases. It is shown that the cyclophane, comprising two 4,4'-bipyridinium dications Linked via 1,4-xylyl groups, resides preferentially over a dialkoxybenzene subunit incorporated into the ''string''. The terminal stoppers, anthracene or ferrocene subunits, associate with the exterior of the cyclophane, via pi-stacking, so as to form closed conformations. Excitation into the anthracene stoppers is followed by rapid, but reversible, electron transfer to the cyclophane. Direct excitation into the charge-transfer absorption band results in formation of an intimate radical ion pair in which an electron has been transferred from the central dialkoxybenzene donor to the cyclophane acceptor. Rapid charge recombination occurs but can be partially intercepted by hole transfer to an appended ferrocene stopper. In this latter case, the ground state is restored by relatively slow electron transfer from the reduced cyclophane to the terminal ferrocenium cation. It is proposed that the closed conformation unwinds subsequent to this second electron-transfer step in order to minimize electrostatic repulsion. To some extent, therefore, the rates of electron transfer are controlled by conformational exchange.

  DOI：

  10.1021/ja00124a010
• 作为产物：
  描述：

  ferrocenoyl chloride 、 1,11-bis<4-<2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethoxy>phenoxy>-3,6,9-trioxaundecane 、 三乙胺 以 二氯甲烷 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Photoactive [2]Rotaxanes: Structure and Photophysical Properties of Anthracene- and Ferrocene-Stoppered [2]Rotaxanes

  摘要：

  The structures of several one- and two-station [2]rotaxanes have been probed in both solid and solution phases. It is shown that the cyclophane, comprising two 4,4'-bipyridinium dications Linked via 1,4-xylyl groups, resides preferentially over a dialkoxybenzene subunit incorporated into the ''string''. The terminal stoppers, anthracene or ferrocene subunits, associate with the exterior of the cyclophane, via pi-stacking, so as to form closed conformations. Excitation into the anthracene stoppers is followed by rapid, but reversible, electron transfer to the cyclophane. Direct excitation into the charge-transfer absorption band results in formation of an intimate radical ion pair in which an electron has been transferred from the central dialkoxybenzene donor to the cyclophane acceptor. Rapid charge recombination occurs but can be partially intercepted by hole transfer to an appended ferrocene stopper. In this latter case, the ground state is restored by relatively slow electron transfer from the reduced cyclophane to the terminal ferrocenium cation. It is proposed that the closed conformation unwinds subsequent to this second electron-transfer step in order to minimize electrostatic repulsion. To some extent, therefore, the rates of electron transfer are controlled by conformational exchange.

  DOI：

  10.1021/ja00124a010