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Anisotropic nuclear spin interactions in H2O@C60 determined by solid-state NMR

Anisotropic nuclear spin interactions in H2O@C60 determined by solid-state NMR
Anisotropic nuclear spin interactions in H2O@C60 determined by solid-state NMR
We report a solid-state NMR study of the anisotropic nuclear spin interactions in H2O@C60 at room temperature. We find evidence of significant dipole–dipole interactions between the water protons, and also a proton chemical shift anisotropy (CSA) interaction. The principal axes of these interaction tensors are found to be perpendicular. The magnitude of the CSA is too large to be explained by a model in which the water molecules are partially aligned with respect to an external axis. The evidence indicates that the observed CSA is caused by a distortion of the geometry or electronic structure of the fullerene cages, in response to the presence of the endohedral water
1364-503X
20120102
Concistre, M.
ec95c9d4-ecb8-4c28-a464-8c3adba9e86d
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Denning, M.
b033f9a8-50c7-4cd9-85eb-9227d1cea86b
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Lei, X.
42c6f3d5-b8c7-467a-be11-94a545812cb7
Li, Y.
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Carravetta, M.
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Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Concistre, M.
ec95c9d4-ecb8-4c28-a464-8c3adba9e86d
Mamone, S.
b4a7783d-af9c-482a-afde-a77a06460b4b
Denning, M.
b033f9a8-50c7-4cd9-85eb-9227d1cea86b
Pileio, G.
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Lei, X.
42c6f3d5-b8c7-467a-be11-94a545812cb7
Li, Y.
d53810d0-bc88-491d-b315-9b9273d7bf52
Carravetta, M.
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Turro, N.J.
41417a77-22c1-494c-8373-9a9fb75cfff4
Levitt, M.H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Concistre, M., Mamone, S., Denning, M., Pileio, G., Lei, X., Li, Y., Carravetta, M., Turro, N.J. and Levitt, M.H. (2013) Anisotropic nuclear spin interactions in H2O@C60 determined by solid-state NMR. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 371 (1998), 20120102. (doi:10.1098/rsta.2012.0102).

Record type: Article

Abstract

We report a solid-state NMR study of the anisotropic nuclear spin interactions in H2O@C60 at room temperature. We find evidence of significant dipole–dipole interactions between the water protons, and also a proton chemical shift anisotropy (CSA) interaction. The principal axes of these interaction tensors are found to be perpendicular. The magnitude of the CSA is too large to be explained by a model in which the water molecules are partially aligned with respect to an external axis. The evidence indicates that the observed CSA is caused by a distortion of the geometry or electronic structure of the fullerene cages, in response to the presence of the endohedral water

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More information

Published date: 2013
Organisations: Magnetic Resonance

Identifiers

Local EPrints ID: 356267
URI: http://eprints.soton.ac.uk/id/eprint/356267
ISSN: 1364-503X
PURE UUID: d22e57ee-cbc8-4583-9f8c-3fb176193d54
ORCID for M. Concistre: ORCID iD orcid.org/0000-0001-7111-0782
ORCID for G. Pileio: ORCID iD orcid.org/0000-0001-9223-3896
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: 06 Sep 2013 08:31
Last modified: 15 Mar 2024 03:32

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Contributors

Author: M. Concistre ORCID iD
Author: S. Mamone
Author: M. Denning
Author: G. Pileio ORCID iD
Author: X. Lei
Author: Y. Li
Author: M. Carravetta ORCID iD
Author: N.J. Turro
Author: M.H. Levitt ORCID iD

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