期刊
出版社
ROYAL SOC
DOI: 10.1098/rsta.2012.0102
关键词
solid-state NMR; endohedral water fullerene; spin interaction
资金
- EPSRC (UK)
- National Science Foundation (USA)
- EPSRC [EP/G035695/1, EP/K00509X/1, EP/I029451/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/I029451/1, EP/K00509X/1, EP/C00664X/1, EP/G035695/1] Funding Source: researchfish
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1111392] Funding Source: National Science Foundation
We report a solid-state NMR study of the anisotropic nuclear spin interactions in H2O@C-60 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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