Arene binding affinities in [CpRu(η6-arene)]+ complexes: Models for the adsorption of arenes on hydrodesulfurization catalysts

Moon Gun Choi, Teh C. Ho, Robert J. Angelici

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Product/reactant ratios (Y) were determined for the reactions CpRu(η6-DBT)+ + L = CpRu(η6-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 π6-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.

Original languageEnglish
Pages (from-to)1098-1105
Number of pages8
Issue number6
Publication statusPublished - 2008 Mar 24


All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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