FcCC(quinoline-5,8-diyl)CCFc | 1430595-10-0

• 英文名称: FcCC(quinoline-5,8-diyl)CCFc
• CAS: 1430595-10-0
• 化学式: C₃₃H₂₃Fe₂N
• 分子量: 545.246
• InChiKey: SXWWLPAZPOXSTI-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：

  FcCC(quinoline-5,8-diyl)CCFc 以 1,2-二氯乙烷 为溶剂， 生成 FcCC(quinoline-5,8-diyl)CCFc(1+)
  参考文献：
  名称：

  Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry

  摘要：

  A new series of bis(ferrocenylethynyl) complexes, 3-7, and a mono(ferrocenylethynyl) complex, 8, have been synthesized incorporating conjugated heterocyclic spacer groups, with the ethynyl group facilitating an effective long-range intramolecular interaction. The complexes were characterized by NMR, IR, and UV-vis spectroscopy as well as X-ray crystallography. The redox properties of these complexes were investigated using cyclic voltamrnetry and spectroelectrochemistry. Although there is a large separation of,similar to 14 angstrom between the two redox centers, Delta E-1/2 values in this series of complexes ranged from 50 to 110 mV. The appearance of intervalance charge-transfer bands in the UV-vis-near-IR region for the monocationic complexes further confirmed effective intramolecular electronic communication. Computational studies are presented that show the degree of delocalization across the Fc-C C-C C-Fc (Fc = C5H5FeC5H4) highest occupied molecular orbital.

  DOI：

  10.1021/ic3024887
• 作为产物：
  描述：

  5,8-diiodoquinoline 、 二茂铁乙炔 在 copper(l) iodide 、 palladium diacetate 、 二异丙胺 、 三苯基膦 作用下， 反应 24.0h， 以53%的产率得到FcCC(quinoline-5,8-diyl)CCFc
  参考文献：
  名称：

  Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry

  摘要：

  A new series of bis(ferrocenylethynyl) complexes, 3-7, and a mono(ferrocenylethynyl) complex, 8, have been synthesized incorporating conjugated heterocyclic spacer groups, with the ethynyl group facilitating an effective long-range intramolecular interaction. The complexes were characterized by NMR, IR, and UV-vis spectroscopy as well as X-ray crystallography. The redox properties of these complexes were investigated using cyclic voltamrnetry and spectroelectrochemistry. Although there is a large separation of,similar to 14 angstrom between the two redox centers, Delta E-1/2 values in this series of complexes ranged from 50 to 110 mV. The appearance of intervalance charge-transfer bands in the UV-vis-near-IR region for the monocationic complexes further confirmed effective intramolecular electronic communication. Computational studies are presented that show the degree of delocalization across the Fc-C C-C C-Fc (Fc = C5H5FeC5H4) highest occupied molecular orbital.

  DOI：

  10.1021/ic3024887