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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
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.
1463-9076
20295-20301
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
et al.
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), 20295-20301. (doi:10.1039/D3CP02253F).

Record type: Article

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.

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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
ORCID for George R. Bacanu: ORCID iD orcid.org/0000-0003-0822-8643
ORCID for Richard J. Whitby: ORCID iD orcid.org/0000-0002-9891-5502
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 27 Jul 2023 14:17
Last modified: 06 Jun 2024 02:10

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Contributors

Author: Mohamed Aouane
Author: Jeff Armstrong
Author: Mark Walkey
Author: Gabriela Hoffman
Author: George R. Bacanu ORCID iD
Author: Stéphane Rols
Corporate Author: et al.

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