Issue 76, 2022

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

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.

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

Supplementary files

Article information

Article type
Communication
Submitted
07 apr 2022
Accepted
23 aug 2022
First published
23 aug 2022
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2022,58, 10659-10662

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

M. E. Potter, J. J. M. Le Brocq, A. E. Oakley, H. Cavaye, B. D. Vandegehuchte and R. Raja, Chem. Commun., 2022, 58, 10659 DOI: 10.1039/D2CC02003C

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