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. © 2013 The Author(s) Published by the Royal Society. All rights reserved.

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

Mamone S.;
2013-01-01

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. © 2013 The Author(s) Published by the Royal Society. All rights reserved.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11697/225022
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