Electron spin density distribution in the polymer phase of CsC60: Assignment of the NMR spectrum

Citation
Tm. De Swiet et al., Electron spin density distribution in the polymer phase of CsC60: Assignment of the NMR spectrum, PHYS REV L, 84(4), 2000, pp. 717-720
Citations number
36
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
84
Issue
4
Year of publication
2000
Pages
717 - 720
Database
ISI
SICI code
0031-9007(20000124)84:4<717:ESDDIT>2.0.ZU;2-Z
Abstract
We present high resolution Cs-133-C-13 double resonance NMR data and C-13-C -13 NMR correlation spectra of C-13 enriched samples of the polymeric phase of CsC60. These data lead to a partial assignment of the lines in the C-13 NMR spectrum of CSC60 to the carbon positions on the C-60 molecule. A plau sible completion of the assignment can be made on the basis of an ab initio calculation, The data support the view that the conduction electron densit y is concentrated at the C60 "equator," away from the interfullerene bonds.