Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations

Matthew E. Potter, J. J.M. Le Brocq, A. E. Oakley, H. Cavaye, Bart D. Vandegehuchte, Robert Raja

Research output: Contribution to journalArticlepeer-review

Abstract

Molecular interactions of hydrocarbons within the confined pores of heterogeneous catalysts can influence reaction pathways, which play a crucial role in determining the overall efficacy of catalytic transformations. We probe the interactions of n-butane with a solid-acid zeolite, mordenite, combining inelastic neutron scattering with DFT calculations. This reveals that the solid-acid sites within mordenite induce a conformer change, which could be key in designing optimised catalysts, for hydrocarbon transformations.

Original languageEnglish
Pages (from-to)10659-10662
Number of pages4
JournalChemical Communications
Volume58
Issue number76
Early online date23 Aug 2022
DOIs
Publication statusPublished - 23 Aug 2022

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Catalysis
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

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