[CpRu(η6-fluorene)](PF6) | 171975-53-4

• 英文名称: [CpRu(η6-fluorene)](PF6)
• CAS: 171975-53-4
• 化学式: C₁₈H₁₅Ru*F₆P
• 分子量: 477.351
• InChiKey: VIUNNPGCOZSYKE-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：

  [CpRu(η6-fluorene)](PF6) 在 t-BuOK 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Deprotonation of the complexes [Ru(arene)Cp]+PF6− (arene = C6Me6 and fluorene): X-ray crystal structure of [Ru(η5-C6Me5CH2)Cp] and determination of the pKa values using the iron analogues

  摘要：

  The ruthenium complexes [RuCp(C(6)Me(6))](+) (2) and [RuCp(fluorene)](+) (6)(PF6- salts throughout this communication) have been deprotonated to 4 and 7 respectively. The X-ray crystal structure of 4 shows an angle of 34.4 (9)degrees between the cyclohexadienyl plane and the plane defined by C(11), C(12) and C(16). The pK(a) values of 2 and 6 were determined by the direct method using the analogous iron complexes and indicate promising proton-reservoir properties.

  DOI：

  10.1016/0022-328x(95)05785-n
• 作为产物：
  描述：

  芴 、 cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 以 1,2-二氯乙烷 为溶剂， 生成 [CpRu(η6-fluorene)](PF6)
  参考文献：
  名称：

  Arene Binding Affinities in [CpRu(η⁶-arene)]⁺ Complexes: Models for the Adsorption of Arenes on Hydrodesulfurization Catalysts

  摘要：

  Product/reactant ratios (Y) were determined for the reactions CpRu(eta(6)-DBT)(+) + L reversible arrow CpRu(eta(6)-L)(+) + DBT (where DBT is dibenzothiophene and L is a homo- or heterocyclic arene), which were conducted under UV photolysis conditions. In the photostationary state, the Y values for the different arenes decrease in the following order: mesitylene (17) > toluene (13) > indole (9.1) > carbazole (6.7) > benzene (5.9) > fluorene (5.1) > biphenyl (3.9) > DBT (1.0) > phenanthrene (0.65) > naphthalene (0.35). In general, alkyl-substituted arenes have a higher binding affinity than the parent arene, except for tert-butyl groups, which decrease the Y values. These trends in eta(6)-arene binding to CpRu+ provide a basis for understanding competitive adsorption of arenes on metal sites of hydrotreating catalysts. Such arene components in petroleum feedstocks reduce the rates of hydrodesulfurization of dibenzothiophenes.

  DOI：

  10.1021/om700773j