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Magnetic properties of C60 and C70

✍ Scribed by P.W. Fowler; P. Lazzeretti; M. Malagoli; R. Zanasi

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 584 KB
Volume: 179
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)90311-v

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✦ Synopsis

The published "C NMR spectra of CGO give an absolute carbon shielding of u=43 ppm, i.e. 14 ppm less than for carbon in benzene. Extrapolation from ab initio coupled Hartree-Fock calculations with the origin of the vectoi potential at the nucleus gives a-46 ppm as the basis-set limit. Minimal basis ab initio calculations on t& predict greatest diatr@netic shielding at the equator and least near the poles of this spheroidal cluster, in good agreement with the experimental assignment of the "C NMR spectrum.

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