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Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H_{2}@C_{60} and HD@C_{60}

Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H_{2}@C_{60} and HD@C_{60}
Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H_{2}@C_{60} and HD@C_{60}
We report an inelastic neutron-scattering (INS) investigation of coupled quantum translation and rotation of hydrogen molecules trapped inside the closed isotropic cages of C60. The low-lying states that characterize the translation-rotation manifold of the hydrogen molecules are accurately determined in our study of the INS peak energies. A comparison between the spectra of H2 and HD isotopomers provides quantitative insight into the coupling between rotational and translational angular momentum with HD exhibiting the strongest effects due to mixing of the rotational eigenstates.

1550-235X
81410
Horsewill, A.J.
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Rols, S.
fbb5f460-25fe-465d-b8df-8c08d944e501
Johnson, M.R.
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Murata, Y.
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Murata, M.
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Komatsu, K.
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Carravetta, M.
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Mamone, S.
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Levitt, M.H.
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Chen, J.Y-C.
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Johnson, J.A.
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Lei, X.
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Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4
Horsewill, A.J.
d3dd902d-c82f-47e3-9753-8b299dafe8fd
Rols, S.
fbb5f460-25fe-465d-b8df-8c08d944e501
Johnson, M.R.
8f157bb9-80cf-4a34-8949-c7fd8edbbee4
Murata, Y.
60965676-5251-4502-bde1-fb34b1bda592
Murata, M.
1f71828b-7f5e-4ed3-8a6a-35a4a9614954
Komatsu, K.
cad3039c-db95-4b83-a191-bb90fa0b213f
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Mamone, S.
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Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Chen, J.Y-C.
b24f9b15-2bce-4556-99f8-77718d3dc7c6
Johnson, J.A.
f1bed820-de14-4ce9-9cef-e2a996f9437a
Lei, X.
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Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4

Horsewill, A.J., Rols, S., Johnson, M.R., Murata, Y., Murata, M., Komatsu, K., Carravetta, M., Mamone, S., Levitt, M.H., Chen, J.Y-C., Johnson, J.A., Lei, X. and Turro, N.J. (2010) Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling in H_{2}@C_{60} and HD@C_{60}. Physical Review B, 82 (8), 81410. (doi:10.1103/PhysRevB.82.081410).

Record type: Article

Abstract

We report an inelastic neutron-scattering (INS) investigation of coupled quantum translation and rotation of hydrogen molecules trapped inside the closed isotropic cages of C60. The low-lying states that characterize the translation-rotation manifold of the hydrogen molecules are accurately determined in our study of the INS peak energies. A comparison between the spectra of H2 and HD isotopomers provides quantitative insight into the coupling between rotational and translational angular momentum with HD exhibiting the strongest effects due to mixing of the rotational eigenstates.

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Published date: 2010

Identifiers

Local EPrints ID: 178379
URI: http://eprints.soton.ac.uk/id/eprint/178379
ISSN: 1550-235X
PURE UUID: 979d97e1-d06c-4ded-9332-2f0748a4f462
ORCID for M. Carravetta: ORCID iD orcid.org/0000-0002-6296-2104
ORCID for M.H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 24 Mar 2011 12:29
Last modified: 07 Oct 2020 07:07

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Contributors

Author: A.J. Horsewill
Author: S. Rols
Author: M.R. Johnson
Author: Y. Murata
Author: M. Murata
Author: K. Komatsu
Author: M. Carravetta ORCID iD
Author: S. Mamone
Author: M.H. Levitt ORCID iD
Author: J.Y-C. Chen
Author: J.A. Johnson
Author: X. Lei
Author: N.J. Turro

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