The University of Southampton
University of Southampton Institutional Repository

Quantum rotation and translation of hydrogen molecules encapsulated inside C60: temperature dependence of inelastic neutron scattering spectra

Quantum rotation and translation of hydrogen molecules encapsulated inside C60: temperature dependence of inelastic neutron scattering spectra
Quantum rotation and translation of hydrogen molecules encapsulated inside C60: temperature dependence of inelastic neutron scattering spectra
The quantum dynamics of a hydrogen molecule encapsulated inside the cage of a C60 fullerene molecule is investigated using inelastic neutron scattering (INS). The emphasis is on the temperature dependence of the INS spectra which were recorded using time-of-flight spectrometers. The hydrogen endofullerene system is highly quantum mechanical, exhibiting both translational and rotational quantization. The profound influence of the Pauli exclusion principle is revealed through nuclear spin isomerism. INS is shown to be exceptionally able to drive transitions between ortho-hydrogen and para-hydrogen which are spin-forbidden to photon spectroscopies. Spectra in the temperature range 1.6?T?280?K are presented, and examples are given which demonstrate how the temperature dependence of the INS peak amplitudes can provide an effective tool for assigning the transitions. It is also shown in a preliminary investigation how the temperature dependence may conceivably be used to probe crystal field effects and inter-fullerene interactions
1364-503X
20110627
Horsewill, A.J.
d3dd902d-c82f-47e3-9753-8b299dafe8fd
Goh, K.
a5608dd3-5970-414c-922e-9c5e3ebbfc91
Rols, S.
fbb5f460-25fe-465d-b8df-8c08d944e501
Ollivier, J.
05473295-eac9-4d02-9374-cade8b43a050
Johnson, M.R.
8f157bb9-80cf-4a34-8949-c7fd8edbbee4
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Murata, Y.
60965676-5251-4502-bde1-fb34b1bda592
Chen, J.Y.- C.
f67517bb-86f3-4f33-bf3f-e5bc7f6528c3
Johnson, J.A.
f1bed820-de14-4ce9-9cef-e2a996f9437a
Lei, X.
42c6f3d5-b8c7-467a-be11-94a545812cb7
Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4
Horsewill, A.J.
d3dd902d-c82f-47e3-9753-8b299dafe8fd
Goh, K.
a5608dd3-5970-414c-922e-9c5e3ebbfc91
Rols, S.
fbb5f460-25fe-465d-b8df-8c08d944e501
Ollivier, J.
05473295-eac9-4d02-9374-cade8b43a050
Johnson, M.R.
8f157bb9-80cf-4a34-8949-c7fd8edbbee4
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Murata, Y.
60965676-5251-4502-bde1-fb34b1bda592
Chen, J.Y.- C.
f67517bb-86f3-4f33-bf3f-e5bc7f6528c3
Johnson, J.A.
f1bed820-de14-4ce9-9cef-e2a996f9437a
Lei, X.
42c6f3d5-b8c7-467a-be11-94a545812cb7
Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4

Horsewill, A.J., Goh, K., Rols, S., Ollivier, J., Johnson, M.R., Levitt, M.H., Carravetta, M., Mamone, S., Murata, Y., Chen, J.Y.- C., Johnson, J.A., Lei, X. and Turro, N.J. (2013) Quantum rotation and translation of hydrogen molecules encapsulated inside C60: temperature dependence of inelastic neutron scattering spectra. Philosophical Transactions of The Royal Society A, 371 (1998), 20110627. (doi:10.1098/rsta.2011.0627).

Record type: Article

Abstract

The quantum dynamics of a hydrogen molecule encapsulated inside the cage of a C60 fullerene molecule is investigated using inelastic neutron scattering (INS). The emphasis is on the temperature dependence of the INS spectra which were recorded using time-of-flight spectrometers. The hydrogen endofullerene system is highly quantum mechanical, exhibiting both translational and rotational quantization. The profound influence of the Pauli exclusion principle is revealed through nuclear spin isomerism. INS is shown to be exceptionally able to drive transitions between ortho-hydrogen and para-hydrogen which are spin-forbidden to photon spectroscopies. Spectra in the temperature range 1.6?T?280?K are presented, and examples are given which demonstrate how the temperature dependence of the INS peak amplitudes can provide an effective tool for assigning the transitions. It is also shown in a preliminary investigation how the temperature dependence may conceivably be used to probe crystal field effects and inter-fullerene interactions

Full text not available from this repository.

More information

Published date: 5 August 2013
Organisations: Magnetic Resonance

Identifiers

Local EPrints ID: 356265
URI: https://eprints.soton.ac.uk/id/eprint/356265
ISSN: 1364-503X
PURE UUID: 7d03c6db-c889-4ad4-978d-fd8234028534
ORCID for M.H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180
ORCID for M. Carravetta: ORCID iD orcid.org/0000-0002-6296-2104

Catalogue record

Date deposited: 06 Sep 2013 08:27
Last modified: 20 Jul 2019 01:06

Export record

Altmetrics

Contributors

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

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of https://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×