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The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage

The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage
The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage
We propose investigating the translation-rotation dynamics of ammonia molecules (NH3) encapsulated inside fullerene cages. This three-fold quantum rotor represents a new class of endofullerene, characterised by A and E spin-symmetry species. Exhibiting translation-rotation coupling and an inversion mode, there is fundamental interest in studying isolated three-fold NH3 rotors. Additionally we have interests in studying the lifetimes of the spin-symmetry species and the mechanisms of A-E conversion. At low temperature no conversion of ortho- and para H2@C60 has been observed over timescales of order one week. Ortho- and para-H2O@C60 interconvert on a timescale of order one day. The proposed INS experiments on NH3 will provide our first insights into the lifetimes of A- and E- species. We shall determine the manifold of translation-rotation levels to identify ‘accidental’ near-degeneracies between A and E states which may provide a conduit for conversion. Identifying the manifold of A- and E-states will also inform strategies we are developing to exploit spin-symmetry species for generating nuclear hyperpolarisation, which have the potential for technological applications
Institut Laue-Langevin
HORSEWILL, Anthony J.
262eff25-a868-4984-83a6-f2a5090e7635
Monica, JIMENEZ RUIZ
1797288d-ef27-4759-924d-051a899d95c8
Robert, JOHNSON Mark
c3f32ace-b741-42f9-b47d-f121cb45a51b
Karel, KOURIL
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Malcolm, LEVITT
77fff07f-bb5e-46ac-9b52-8ff00d48c7a9
Salvatore, MAMONE
36de51e6-4980-4b3c-b733-d62e998e3497
Stephane, ROLS
2dee7242-9963-43ca-ad67-82e5459bab32
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
HORSEWILL, Anthony J.
262eff25-a868-4984-83a6-f2a5090e7635
Monica, JIMENEZ RUIZ
1797288d-ef27-4759-924d-051a899d95c8
Robert, JOHNSON Mark
c3f32ace-b741-42f9-b47d-f121cb45a51b
Karel, KOURIL
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Malcolm, LEVITT
77fff07f-bb5e-46ac-9b52-8ff00d48c7a9
Salvatore, MAMONE
36de51e6-4980-4b3c-b733-d62e998e3497
Stephane, ROLS
2dee7242-9963-43ca-ad67-82e5459bab32
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b

(2016) The Quantum Dynamics of the three-fold quantum rotor NH3 encapsulated inside a fullerene cage. Institut Laue-Langevin doi:10.5291/ill-data.7-04-148 [Dataset]

Record type: Dataset

Abstract

We propose investigating the translation-rotation dynamics of ammonia molecules (NH3) encapsulated inside fullerene cages. This three-fold quantum rotor represents a new class of endofullerene, characterised by A and E spin-symmetry species. Exhibiting translation-rotation coupling and an inversion mode, there is fundamental interest in studying isolated three-fold NH3 rotors. Additionally we have interests in studying the lifetimes of the spin-symmetry species and the mechanisms of A-E conversion. At low temperature no conversion of ortho- and para H2@C60 has been observed over timescales of order one week. Ortho- and para-H2O@C60 interconvert on a timescale of order one day. The proposed INS experiments on NH3 will provide our first insights into the lifetimes of A- and E- species. We shall determine the manifold of translation-rotation levels to identify ‘accidental’ near-degeneracies between A and E states which may provide a conduit for conversion. Identifying the manifold of A- and E-states will also inform strategies we are developing to exploit spin-symmetry species for generating nuclear hyperpolarisation, which have the potential for technological applications

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More information

Published date: 1 January 2016

Identifiers

Local EPrints ID: 446320
URI: http://eprints.soton.ac.uk/id/eprint/446320
PURE UUID: 7251457d-f2c0-4743-9628-d566167f7baf
ORCID for KOURIL Karel: ORCID iD orcid.org/0000-0003-4884-1637
ORCID for Richard J. Whitby: ORCID iD orcid.org/0000-0002-9891-5502

Catalogue record

Date deposited: 04 Feb 2021 17:30
Last modified: 18 Feb 2021 17:25

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Contributors

Contributor: Anthony J. HORSEWILL
Contributor: JIMENEZ RUIZ Monica
Contributor: JOHNSON Mark Robert
Contributor: KOURIL Karel ORCID iD
Contributor: LEVITT Malcolm
Contributor: MAMONE Salvatore
Contributor: ROLS Stephane
Contributor: Richard J. Whitby ORCID iD

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