Open AccessAnisotropic nuclear spin interactions in H 2 O@C 60 determined by solid-state NMR
Author(s) -
Maria Concistrè,
Salvatore Mamone,
M.S. Denning,
Giuseppe Pileio,
Xiaoyi Lei,
Y. Li,
Marina Carravetta,
N. J. TURRO,
Malcolm H. Levitt
Publication year - 2013
Publication title -
philosophical transactions of the royal society a mathematical physical and engineering sciences
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.074
H-Index - 169
eISSN - 1471-2962
pISSN - 1364-503X
DOI - 10.1098/rsta.2012.0102
Subject(s) - anisotropy , proton , dipole , spin (aerodynamics) , principal axis theorem , solid state nuclear magnetic resonance , distortion (music) , molecule , materials science , nuclear magnetic resonance , perpendicular , physics , condensed matter physics , fullerene , molecular physics , geometry , nuclear physics , optics , amplifier , mathematics , optoelectronics , cmos , quantum mechanics , thermodynamics
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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