Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation
Inelastic neutron scattering (INS) has been employed to investigate the quantum dynamics of water molecules permanently entrapped inside the cages of C60 fullerene molecules. This study of the supramolecular complex, H2O@C60, provides the unique opportunity to study isolated water molecules in a hig...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
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Royal Society of Chemistry
2014
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| Online Access: | https://eprints.nottingham.ac.uk/28056/ |
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| author | Goh, Kelvin S.K. Jimenez-Ruiz, Monica Johnson, Mark R. Rols, Stephane Ollivier, Jacques Denning, Mark S. Mamone, Salvatore Levitt, Malcolm H. Lei, Xuegong Li, Yongjun Turro, Nicholas J. Murata, Yasujiro Horsewill, Anthony J. |
| author_facet | Goh, Kelvin S.K. Jimenez-Ruiz, Monica Johnson, Mark R. Rols, Stephane Ollivier, Jacques Denning, Mark S. Mamone, Salvatore Levitt, Malcolm H. Lei, Xuegong Li, Yongjun Turro, Nicholas J. Murata, Yasujiro Horsewill, Anthony J. |
| author_sort | Goh, Kelvin S.K. |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | Inelastic neutron scattering (INS) has been employed to investigate the quantum dynamics of water molecules permanently entrapped inside the cages of C60 fullerene molecules. This study of the supramolecular complex, H2O@C60, provides the unique opportunity to study isolated water molecules in a highly symmetric environment. Free from strong interactions, the water molecule has a high degree of rotational freedom enabling its nuclear spin isomers, ortho-H2O and para-H2O to be separately identified and studied. The INS technique mediates transitions between the ortho and para spin isomers and using three INS spectrometers, the rotational levels of H2O have been investigated, correlating well with the known levels in gaseous water. The slow process of nuclear spin conversion between ortho-H2O and para-H2O is revealed in the time dependence of the INS peak intensities over periods of many hours. Of particular interest to this study is the observed splitting of the ground state of ortho-H2O, raising the three-fold degeneracy into two states with degeneracy 2 and 1 respectively. This is attributed to a symmetry-breaking interaction of the water environment. |
| first_indexed | 2025-11-14T19:01:14Z |
| format | Article |
| id | nottingham-28056 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:01:14Z |
| publishDate | 2014 |
| publisher | Royal Society of Chemistry |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-280562020-05-04T20:16:41Z https://eprints.nottingham.ac.uk/28056/ Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation Goh, Kelvin S.K. Jimenez-Ruiz, Monica Johnson, Mark R. Rols, Stephane Ollivier, Jacques Denning, Mark S. Mamone, Salvatore Levitt, Malcolm H. Lei, Xuegong Li, Yongjun Turro, Nicholas J. Murata, Yasujiro Horsewill, Anthony J. Inelastic neutron scattering (INS) has been employed to investigate the quantum dynamics of water molecules permanently entrapped inside the cages of C60 fullerene molecules. This study of the supramolecular complex, H2O@C60, provides the unique opportunity to study isolated water molecules in a highly symmetric environment. Free from strong interactions, the water molecule has a high degree of rotational freedom enabling its nuclear spin isomers, ortho-H2O and para-H2O to be separately identified and studied. The INS technique mediates transitions between the ortho and para spin isomers and using three INS spectrometers, the rotational levels of H2O have been investigated, correlating well with the known levels in gaseous water. The slow process of nuclear spin conversion between ortho-H2O and para-H2O is revealed in the time dependence of the INS peak intensities over periods of many hours. Of particular interest to this study is the observed splitting of the ground state of ortho-H2O, raising the three-fold degeneracy into two states with degeneracy 2 and 1 respectively. This is attributed to a symmetry-breaking interaction of the water environment. Royal Society of Chemistry 2014 Article PeerReviewed Goh, Kelvin S.K., Jimenez-Ruiz, Monica, Johnson, Mark R., Rols, Stephane, Ollivier, Jacques, Denning, Mark S., Mamone, Salvatore, Levitt, Malcolm H., Lei, Xuegong, Li, Yongjun, Turro, Nicholas J., Murata, Yasujiro and Horsewill, Anthony J. (2014) Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation. Physical Chemistry Chemical Physics, 16 (39). pp. 21330-21339. ISSN 1463-9076 NUCLEAR-MAGNETIC-RESONANCE; MOLECULAR-HYDROGEN; FULLERENE C-60; SPECTROSCOPY Nuclear-magnetic resonance; molecular-hydrogen http://pubs.rsc.org/en/Content/ArticleLanding/2014/CP/C4CP03272A doi:10.1039/c4cp03272a doi:10.1039/c4cp03272a |
| spellingShingle | NUCLEAR-MAGNETIC-RESONANCE; MOLECULAR-HYDROGEN; FULLERENE C-60; SPECTROSCOPY Nuclear-magnetic resonance; molecular-hydrogen Goh, Kelvin S.K. Jimenez-Ruiz, Monica Johnson, Mark R. Rols, Stephane Ollivier, Jacques Denning, Mark S. Mamone, Salvatore Levitt, Malcolm H. Lei, Xuegong Li, Yongjun Turro, Nicholas J. Murata, Yasujiro Horsewill, Anthony J. Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title | Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title_full | Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title_fullStr | Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title_full_unstemmed | Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title_short | Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| title_sort | symmetry-breaking in the endofullerene h2o@c60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation |
| topic | NUCLEAR-MAGNETIC-RESONANCE; MOLECULAR-HYDROGEN; FULLERENE C-60; SPECTROSCOPY Nuclear-magnetic resonance; molecular-hydrogen |
| url | https://eprints.nottingham.ac.uk/28056/ https://eprints.nottingham.ac.uk/28056/ https://eprints.nottingham.ac.uk/28056/ |