{CpRu(dibenzothiophene)}PF6 | 117094-91-4

• 英文名称: {CpRu(dibenzothiophene)}PF6
• 英文别名: [(η5-cyclopentadienyl)Ru(η6-dibenzothiophene)[[PF6]；[CpRu(η6-dibenzothiophene)](PF6)；[CpRu(η6-dibenzothiophene)][PF6]；[CpRu(η6-DBT)](PF6)
• CAS: 117094-91-4
• 化学式: C₁₇H₁₃RuS*F₆P
• 分子量: 495.39
• InChiKey: LHHDZWFZCLIYHK-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：

  吲哚 、 {CpRu(dibenzothiophene)}PF6 以 氘代丙酮 为溶剂， 生成 (η6-indole)(η5-cyclopentadienyl)ruthenium hexafluorophosphate
  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
• 作为产物：
  描述：

  二苯并噻吩 、 cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 以 1,2-二氯乙烷 为溶剂， 以78%的产率得到{CpRu(dibenzothiophene)}PF6
  参考文献：
  名称：

  Synthetic, Structural, and Kinetic Studies of [CpRu(CO)₂(μ₂-η¹(S):η⁶-DBT)RuCp*][PF₆]₂:  A Dibenzothiophene Bridge between Two Ruthenium Fragments

  摘要：

  The complexes [CpRu(CO)(2)(mu(2)-eta(1)(S):eta(6)-DBT)RuCp'](2+) (Cp' = eta(5)-C5H5 (3), eta(5)-C5Me5 (4)) were synthesized and shown by X-ray crystallography to contain a bridging dibenzothiophene ligand that is coordinated to {CpRu(CO)(2)}(+) through the sulfur atom and to {Cp'Ru}(+) through an arene ring (eta(6)). Kinetic studies of the displacement of the [Cp*Ru(eta(6)-DBT)](+) moiety in 4 by P(OPh)(3) show that the eta(6)-coordinated {Cp*Ru}(+) group weakens the Ru-S bond, as compared to that in [CpRu(CO)(2)(eta(1)(S)-DBT)](+), and greatly increases the rate of DBT dissociation.

  DOI：

  10.1021/om050158y

文献信息

• Hachgenci; Angelici, Organometallics, 1989, vol. 8, # 1, p. 14 - 17
  作者：Hachgenci、Angelici

  DOI：——

  日期：——
• Synthesis and reactivity of ruthenium complexes with dibenzothiophene and hexahydrodibenzothiophene ligands: models for catalytic hydrodesulfurization
  作者：Chia Mei Jen Wang、Robert J. Angelici

  DOI：10.1021/om00156a014

  日期：1990.6