Shape-selective diisopropylation of naphthalene in H-Mordenite: Myth or reality?

Christophe Bouvier, Wim Buijs*, Jorge Gascon Sabate, Freek Kapteijn, Bogdan C. Gagea, Pierre A. Jacobs, Johan A. Martens

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

Selective diisopropylation of naphthalene to 2,6-diisopropylnaphthalene is a challenging goal in sustainable catalysis. Ultrastable Y and H-Mordenite zeolites are the best catalysts reported in the literature with respect to 2,6-diisopropylnaphthalene selectivity. It is generally accepted that in the case of H-Mordenite, shape-selectivity is responsible for the observed 2,6-diisopropylnaphthalene selectivity, while on Ultrastable Y-zeolite, the observed selectivity reflects the internal thermodynamic equilibrium of positional isomers. Revisiting both the experimental and the computational work in this field now leads to the conclusion that shape-selectivity of whatever kind can be ruled out in the case of H-Mordenite. H-Mordenite catalysts produce usually a kinetically controlled mixture of diisopropylnaphthalene isomers which can shift to the direction of a thermodynamical distribution at high reaction temperatures or over more active catalysts.

Original languageEnglish (US)
Pages (from-to)60-66
Number of pages7
JournalJournal of Catalysis
Volume270
Issue number1
DOIs
StatePublished - Mar 22 2010

Keywords

  • 2,6-Diisopropylnaphthalene
  • H-MOR
  • H-USY
  • Kinetic mixture
  • Molecular modeling
  • Shape selectivity
  • Thermodynamical distribution

ASJC Scopus subject areas

  • Catalysis
  • Physical and Theoretical Chemistry

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