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Title: Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance

The water-endofullerene H{sub 2}O@C{sub 60} provides a unique chemical system in which freely rotating water molecules are confined inside homogeneous and symmetrical carbon cages. The spin conversion between the ortho and para species of the endohedral H{sub 2}O was studied in the solid phase by low-temperature nuclear magnetic resonance. The experimental data are consistent with a second-order kinetics, indicating a bimolecular spin conversion process. Numerical simulations suggest the simultaneous presence of a spin diffusion process allowing neighbouring ortho and para molecules to exchange their angular momenta. Cross-polarization experiments found no evidence that the spin conversion of the endohedral H{sub 2}O molecules is catalysed by {sup 13}C nuclei present in the cages.
Authors:
; ; ; ; ; ; ; ; ;  [1] ; ;  [2] ; ;  [3]
  1. School of Chemistry, University of Southampton, Southampton SO17 1BJ (United Kingdom)
  2. Department of Chemistry, Columbia University, New York, New York 10027 (United States)
  3. School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom)
Publication Date:
OSTI Identifier:
22254849
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPUTERIZED SIMULATION; FULLERENES; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; SOLIDS; WATER