1-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-[(4,4'-di-tert-butyl-2,2'-bipyridine)(CO)3ReCC]-5-(ethynyl)C6H3 | 1041862-76-3

• 英文名称: 1-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-[(4,4'-di-tert-butyl-2,2'-bipyridine)(CO)3ReCC]-5-(ethynyl)C6H3
• 英文别名: 1-(FcCC)-3-[(tBu2bpy)(CO)3ReCC]-5-(HCC)C6H3
• CAS: 1041862-76-3
• 化学式: C₄₃H₃₇FeN₂O₃Re
• 分子量: 871.832
• InChiKey: KPGNKGXVJRKFCC-UHFFFAOYSA-N

物化性质

• 熔点：
  >196 °C (decomp)

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-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-[(4,4'-di-tert-butyl-2,2'-bipyridine)(CO)3ReCC]-5-(ethynyl)C6H3 在 AgOSO₂CF₃ 作用下， 以 四氢呋喃 为溶剂， 生成 1-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-[(4,4'-di-tert-butyl-2,2'-bipyridine)(CO)3ReCC]-5-(ethynyl)C6H3(1+)
  参考文献：
  名称：

  Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of the in Situ Generated Associated Radical Cations

  摘要：

  The synthesis of a series of complexes with different organometallic building blocks unsymmetrically arranged around the periphery of a 1,3,5-triethynylbenzene core is discussed. They are accessible by diverse consecutive reaction sequences, which allow the introduction of transition metal units such as Fc, [((t)Bu(2)bpy)(CO)(3)Re], [(eta(5)-C5H5)(Ph3P)(2)Ru], [(eta(5)-C5H5)(Ph3P)(2)Os], and trans-[(Ph3P)(2)(Cl)Pt] (Fc = (eta(5)-C5H5)(eta(5)-C5H4)Fe; (t)Bu(2)bpy = 4,4 '-di-tert-butyl-2,2 '-bipyridyl). The solid state structures of five complexes have been determined. The electrochemical behavior of the newly synthesized mono-, heterobi-, and heterotrimetallic assemblies have been studied, showing that there is no significant electronic interaction between the respective metal atoms. UV-vis spectroscopic measurements suggest a weak interaction between the appropriate metal atoms. The associated radical cations were in situ generated by stepwise chemical oxidation and characterized by continuous wave electron paramagnetic resonance (EPR) investigations in X-band performed at low temperatures.

  DOI：

  10.1021/om800206k
• 作为产物：
  描述：

  [Re(tert-Bu₂-(2-phenyl pyridine))(CO)₃Cl] 、 1-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-(LiCC)-5-(ethynyl)C6H3 以 四氢呋喃 、 乙醚 为溶剂， 以0%的产率得到1-(η5-cyclopentadienyl)Fe(η5-C5H4CC)-3-[(4,4'-di-tert-butyl-2,2'-bipyridine)(CO)3ReCC]-5-(ethynyl)C6H3
  参考文献：
  名称：

  Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of the in Situ Generated Associated Radical Cations

  摘要：

  The synthesis of a series of complexes with different organometallic building blocks unsymmetrically arranged around the periphery of a 1,3,5-triethynylbenzene core is discussed. They are accessible by diverse consecutive reaction sequences, which allow the introduction of transition metal units such as Fc, [((t)Bu(2)bpy)(CO)(3)Re], [(eta(5)-C5H5)(Ph3P)(2)Ru], [(eta(5)-C5H5)(Ph3P)(2)Os], and trans-[(Ph3P)(2)(Cl)Pt] (Fc = (eta(5)-C5H5)(eta(5)-C5H4)Fe; (t)Bu(2)bpy = 4,4 '-di-tert-butyl-2,2 '-bipyridyl). The solid state structures of five complexes have been determined. The electrochemical behavior of the newly synthesized mono-, heterobi-, and heterotrimetallic assemblies have been studied, showing that there is no significant electronic interaction between the respective metal atoms. UV-vis spectroscopic measurements suggest a weak interaction between the appropriate metal atoms. The associated radical cations were in situ generated by stepwise chemical oxidation and characterized by continuous wave electron paramagnetic resonance (EPR) investigations in X-band performed at low temperatures.

  DOI：

  10.1021/om800206k