M. Apostol, STRUCTURAL DISTORTION IN RB3-XC60 AND K3-XC60 REVEALED BY RB-87-NMR AND K-39-NMR, Journal of physical chemistry, 100(8), 1996, pp. 3175-3178
The splitting of the tetrahedral Rb- and K-NMR lines in Rb3-xC60 and K
3-xC60 is analyzed in terms of the mechanism of alkali-cation vacancie
s. The calculations indicate the presence of vacancies only in the tet
rahedral positions, and the interatomic potentials between the alkali
cations and the fullerene molecules account satisfactorily for the tem
perature dependence of the position of the distorted line.