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Science 18 September 1992:
Vol. 257. no. 5077, pp. 1660 - 1661
DOI: 10.1126/science.257.5077.1660

Articles

Ring Currents in Icosahedral C60

Alfredo Pasquarello 1, Michael Schlüter 1, and R. C. Haddon 1

1 AT&T Bell Laboratories, Murray Hill, NJ 07974

A new formulation of the current within the London approximation allows the calculation of ring currents in topologically complex molecules. Application of this theory to C60 demonstrates the existence of remarkable pgr electron ring currents. Paramagnetic currents, in size comparable to the ones in benzene, flow within the pentagons, whereas weaker diamagnetic currents flow all around the C.60 molecule. The overall vanishing ring-current magnetic susceptibility results from a cancellation of diamagnetic and paramagnetic contributions. The presence of ring currents significantly affects chemical shifts as measured in nuclear magnetic resonance experiments. In contrast to the magnetic susceptibility, which is a property of the molecule as a whole, chemical shifts are sensitive to the local magnetic field and the effect of ring currents does not vanish.

Submitted on June 29, 1992
Accepted on July 30, 1992


THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Magnetic Susceptibility of Molecular Carbon: Nanotubes and Fullerite.
A. P. Ramirez, R. C. Haddon, O. Zhou, R. M. Fleming, J. Zhang, S. M. McClure, and R. E. Smalley (1994)
Science 265, 84-86
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Chemistry of the Fullerenes: The Manifestation of Strain in a Class of Continuous Aromatic Molecules.
R. C. Haddon (1993)
Science 261, 1545-1550
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