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

doi:10.1021/om700773j

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	1098-1105
Number of pages	8
Journal	Organometallics
Volume	27
Issue number	6
DOIs	https://doi.org/10.1021/om700773j
Publication status	Published - 2008 Mar 24

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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abstract = "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.",

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PY - 2008/3/24

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N2 - 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.

AB - 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.

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

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