[CpRu(η6-1-methylnaphthalene)](PF6) | 1017242-50-0

• 英文名称: [CpRu(η6-1-methylnaphthalene)](PF6)
• 英文别名: [Ru(η⁵-Cp)(η⁶-1-methylnaphthalene)][PF₆]；[CpRu(η6-1-MeNap)](PF6)；[Ru(η⁵-Cp)(η⁶-5-methylnaphthalene)][PF₆]
• CAS: 1017242-50-0；1017242-52-2
• 化学式: C₁₆H₁₅Ru*F₆P
• 分子量: 453.329
• InChiKey: LTSJZCDYUQQYJF-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

• 作为产物：
  描述：

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

文献信息

• Microwave‐Assisted Synthesis and Transformations of Cationic CpRu(II)(naphthalene) and CpRu(II)(naphthoquinone) Complexes
  作者：Eva Bocekova‐Gajdošíkova、Bugra Epik、Jingyu Chou、Katsuhiro Akiyama、Nobuaki Fukui、Laure Guénée、E. Peter Kündig

  DOI：10.1002/hlca.201900076

  日期：2019.5

  Details of the direct synthesis of cationic Ru(II)(η5‐Cp)(η6‐arene) complexes from ruthenocene using microwave heating are reported. Developed for the important catalyst precursor [Ru(II)(η5‐Cp)(η6‐1‐4,4a,8a‐naphthalene)][PF6] reaction time could be shortened from three days to 15 min. The method was extended to [Ru(II)(η6‐benzene)(η5‐Cp)][PF6], [Ru(II)(η5‐Cp)(η6‐toluene)][PF6], [Ru(II)(η5‐Cp)(η6‐mesitylene)][PF6]

  （II）（阳离子钌的直接合成的细节η 5 -Cp）（η 6 -arene）的报告从使用微波加热钌络合物。开发了用于重要的催化剂前体的[Ru（II）（η 5 -Cp）（η 6 -1-4,4a，8α萘）] [PF 6 ]的反应时间可以从三天缩短至15分钟。该方法被扩展到的[Ru（II）（η 6 -苯）（η 5 -Cp）] [PF 6 ]，[钌（II）（η 5 -Cp）（η 6 -甲苯）] [PF 6 ] [钌（II）（η 5 -Cp）（η6 -mesitylene）] [PF 6 ]，[钌（II）（η 5 -Cp）（η 6 -hexamethylbenzene）] [PF 6 ]，[钌（II）（η 5的Cp）（η 6 -茚满）] [PF 6 ]，[钌（II）（η 5 -Cp）（η 6 -2,6-二甲基萘）] [PF 6 ]和[钌（II）（η 5 -Cp）（η 6 -芘） ] [PF 6 ]。1-甲基萘和2