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

TitleAnisotropic nuclear spin interactions in H₂O@C₆₀ determined by solid-state NMR.
Publication TypeJournal Article
Year of Publication2013
AuthorsConcistrè M, Mamone S, Denning M, Pileio G, Lei X, Li Y, Carravetta M, Turro NJ, Levitt MH
JournalPhilosophical transactions. Series A, Mathematical, physical, and engineering sciences
Volume371
Issue1998
Pagination20120102
Date Published2013 Sep 13
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.

DOI10.1093/jxb/ert178
Alternate JournalPhilos Trans A Math Phys Eng Sci