Magnetic properties of C60 and C70

  • Fowler P
  • Lazzeretti P
  • Malagoli M
 et al. 
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Abstract

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.

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Authors

  • P.W. Fowler

  • P. Lazzeretti

  • M. Malagoli

  • R. Zanasi

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