A combined inelastic neutron scattering and simulation study of the 3He@C60 endofullerene
A combined inelastic neutron scattering and simulation study of the 3He@C60 endofullerene
The 3He@C60 endofullerene consists of a single 3He atom entrapped inside a C60 fullerene cage. The confining potential, arising from the non-covalent interaction between the enclosed He atom and the C atoms of the cage, is investigated by inelastic neutron scattering. These measurements allow us to obtain information in both energy (o) and momentum (Q) transfers in the form of the dynamical structure factor S (Q, o). Simulations of the S (Q, o) maps are performed for a spherical anharmonic oscillator model. Good agreement between the experimental and simulated data sets is achieved.
20295-20301
Aouane, Mohamed
35da07e4-888a-4ae7-93d2-527f6113e49f
Armstrong, Jeff
8338a7c4-75a6-4868-b6e3-c3ea95ac7ca2
Walkey, Mark
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Hoffman, Gabriela
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Bacanu, George R.
6ac562d2-cba9-4b2c-8749-83d2573f5821
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Rols, Stéphane
604c9299-aeff-4d5e-a16c-54a2f9b50108
8 June 2023
Aouane, Mohamed
35da07e4-888a-4ae7-93d2-527f6113e49f
Armstrong, Jeff
8338a7c4-75a6-4868-b6e3-c3ea95ac7ca2
Walkey, Mark
432139de-52cb-4e28-9ad0-b254e0523775
Hoffman, Gabriela
8b98ba1c-ee09-4922-82e4-a9240aa12e64
Bacanu, George R.
6ac562d2-cba9-4b2c-8749-83d2573f5821
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Rols, Stéphane
604c9299-aeff-4d5e-a16c-54a2f9b50108
Aouane, Mohamed, Armstrong, Jeff, Walkey, Mark, Hoffman, Gabriela, Bacanu, George R., Whitby, Richard J. and Levitt, Malcolm H.
,
et al.
(2023)
A combined inelastic neutron scattering and simulation study of the 3He@C60 endofullerene.
Physical Chemistry Chemical Physics, 25 (30), .
(doi:10.1039/D3CP02253F).
Abstract
The 3He@C60 endofullerene consists of a single 3He atom entrapped inside a C60 fullerene cage. The confining potential, arising from the non-covalent interaction between the enclosed He atom and the C atoms of the cage, is investigated by inelastic neutron scattering. These measurements allow us to obtain information in both energy (o) and momentum (Q) transfers in the form of the dynamical structure factor S (Q, o). Simulations of the S (Q, o) maps are performed for a spherical anharmonic oscillator model. Good agreement between the experimental and simulated data sets is achieved.
Text
combined_inelastic_neutron_scattering and_simulation_study
More information
Accepted/In Press date: 7 June 2023
e-pub ahead of print date: 8 June 2023
Published date: 8 June 2023
Additional Information:
Funding Information:
This research was supported by the Engineering and Physical Sciences Research Council (EPSRC, U.K. grant numbers: EP/P009980/1, EP/T004320/1), the European Research Council (grant number: 786707-FunMagResBeacons) and by the Institut Laue-Langevin through the PhD program providing financial support to M. A. Both the ILL and ISIS are acknowledged for providing beamtime for this study.
Publisher Copyright:
© 2023 The Royal Society of Chemistry.
Identifiers
Local EPrints ID: 479832
URI: http://eprints.soton.ac.uk/id/eprint/479832
ISSN: 1463-9076
PURE UUID: 8377e892-7b9a-406c-a7f6-0c45b1118d08
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Date deposited: 27 Jul 2023 14:17
Last modified: 18 Mar 2024 02:53
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Contributors
Author:
Mohamed Aouane
Author:
Jeff Armstrong
Author:
Mark Walkey
Author:
Gabriela Hoffman
Author:
George R. Bacanu
Author:
Stéphane Rols
Corporate Author: et al.
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