The published 13 C NMR spectra of C 60 give an absolute carbon shielding of σ = 43 ppm, i.e. 14 ppm less than for carbon in benzene. Extrapolation from basis ab initio coupled Hartree-Fock calculations with the origin of the vector potential at the nucleus gives σ=46 ppm as the basis-set limit. Minimal ab initio calculations on C 70 predict greatest diamagnetic shielding at the equator and least near the poles of this spheroidal cluster, in good agreement with the experimental assignment of the 13 C NMR spectrum. © 1991.
Mendeley saves you time finding and organizing research
Choose a citation style from the tabs below