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

Research output: Contribution to journalArticle

13 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 languageEnglish
Pages (from-to)1098-1105
Number of pages8
JournalOrganometallics
Volume27
Issue number6
DOIs
Publication statusPublished - 2008 Mar 24

Fingerprint

Hydrodesulfurization
affinity
mesitylene
Adsorption
catalysts
phenanthrene
Catalysts
adsorption
carbazoles
indoles
Petroleum
Photolysis
Toluene
Benzene
crude oil
naphthalene
Feedstocks
photolysis
toluene
Metals

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

Cite this

Choi, Moon-Gun ; Ho, Teh C. ; Angelici, Robert J. / Arene binding affinities in [CpRu(η6-arene)]+ complexes : Models for the adsorption of arenes on hydrodesulfurization catalysts. In: Organometallics. 2008 ; Vol. 27, No. 6. pp. 1098-1105.
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Arene binding affinities in [CpRu(η6-arene)]+ complexes : Models for the adsorption of arenes on hydrodesulfurization catalysts. / Choi, Moon-Gun; Ho, Teh C.; Angelici, Robert J.

In: Organometallics, Vol. 27, No. 6, 24.03.2008, p. 1098-1105.

Research output: Contribution to journalArticle

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