[CpRu(η6-2-methylnaphthalene)](PF6) | 1017242-48-6

• 英文名称: [CpRu(η6-2-methylnaphthalene)](PF6)
• 英文别名: [CpRu(η6-2-MeNap)](PF6)
• CAS: 1017242-48-6；1017242-38-4
• 化学式: C₅H₅*C₁₁H₁₀*F₆P*Ru
• 分子量: 453.329
• InChiKey: UDNOAYJOULYGRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 2-甲基萘 以 1,2-二氯乙烷 为溶剂， 生成 [CpRu(η6-2-methylnaphthalene)](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