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Updated: Aug 9, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
Electron spin density distribution in the polymer phase of CsC60: assignment of the NMR spectrum
de Swiet TM1, J L Yarger, T Wagberg
1School of Chemistry, University of Nottingham, Nottingham NG7 2RD, United Kingdom. thomas.de.swiet@nottingham.ac.uk
Abstract:
We present high resolution 133Cs-13C double resonance NMR data and 13C-13C NMR correlation spectra of 13C enriched samples of the polymeric phase of CsC60. These data lead to a partial assignment of the lines in the 13C NMR spectrum of CsC60 to the carbon positions on the C60 molecule. A plausible completion of the assignment can be made on the basis of an ab initio calculation. The data support the view that the conduction electron density is concentrated at the C60 "equator," away from the interfullerene bonds.
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