A combined inelastic neutron scattering and simulation study of the (3)He@C(60) endofullerene

The (3)He@C(60) endofullerene consists of a single (3)He atom entrapped inside a C(60) 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 allo...

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Detalles Bibliográficos
Autores principales: Aouane, Mohamed, Armstrong, Jeff, Walkey, Mark, Hoffman, Gabriela, Bacanu, George R., Whitby, Richard J., Levitt, Malcolm H., Rols, Stéphane
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10394999/
https://www.ncbi.nlm.nih.gov/pubmed/37317704
http://dx.doi.org/10.1039/d3cp02253f
Descripción
Sumario:The (3)He@C(60) endofullerene consists of a single (3)He atom entrapped inside a C(60) 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 (ω) and momentum (Q) transfers in the form of the dynamical structure factor S (Q, ω). Simulations of the S (Q, ω) maps are performed for a spherical anharmonic oscillator model. Good agreement between the experimental and simulated data sets is achieved.

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