Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations
Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations
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.
10659-10662
Potter, Matthew E.
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Le Brocq, J. J.M.
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Oakley, A. E.
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Cavaye, H.
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Vandegehuchte, Bart D.
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Raja, Robert
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28 September 2022
Potter, Matthew E.
34dee7dc-2f62-4022-bb65-fc7b7fb526d2
Le Brocq, J. J.M.
73d7268b-7d1a-4f5d-a9e1-6a926fc9ee1d
Oakley, A. E.
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Cavaye, H.
3f045b3e-7dcf-47e2-962f-b583714137df
Vandegehuchte, Bart D.
c102634f-27ac-4ab6-be84-25fa8c14f7fd
Raja, Robert
74faf442-38a6-4ac1-84f9-b3c039cb392b
Potter, Matthew E., Le Brocq, J. J.M., Oakley, A. E., Cavaye, H., Vandegehuchte, Bart D. and Raja, Robert
(2022)
Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations.
Chemical communications (Cambridge, England), 58 (76), .
(doi:10.1039/d2cc02003c).
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.
Text
d2cc02003c
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Accepted/In Press date: 23 August 2022
Published date: 28 September 2022
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© 2022 The Royal Society of Chemistry.
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Local EPrints ID: 471464
URI: http://eprints.soton.ac.uk/id/eprint/471464
ISSN: 1359-7345
PURE UUID: 32b8e075-ab76-47e3-a608-e38fef87579f
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Date deposited: 08 Nov 2022 18:53
Last modified: 06 Jun 2024 01:44
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Contributors
Author:
J. J.M. Le Brocq
Author:
A. E. Oakley
Author:
H. Cavaye
Author:
Bart D. Vandegehuchte
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