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Science 18 October 1991:
Vol. 254. no. 5030, pp. 410 - 412
DOI: 10.1126/science.254.5030.410
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Articles

Bond Lengths in Free Molecules of Buckminsterfullerene, C60, from Gas-Phase Electron Diffraction

KENNETH HEDBERG 1, LISE HEDBERG 1, DONALD S. BETHUNE 2, C. A. BROWN 2, H. C. DORN 2, ROBERT D. JOHNSON 2, and M. DE VRIES 3

1 Department of Chemistry, Oregon State University, Corvallis, OR 97331
2 IBM Research Division, Almaden Research Center, 650 Harry Road, San Jose, CA 95120-6099
3 Department of Chemistry, Virginia Polytechnic Institute, Blacksburg, VA 24061

Electron diffraction patterns of the fullerene C60 in the gaseous state have been obtained by volatilizing it from a newly designed oven-nozzle at 730°C. The many peaks of the experimental radial distribution curve calculated from the scattered intensity are completely consistent with icosahedral symmetry for the free molecule. On the basis of this symmetry assumption, least-squares refinement of a model incorporating all possible interatomic distances led to the values rg(C1-C2) = 1.458(6) angstroms (Å) for the thermal average bond length within the five-member ring (that is, for the bond fusing five- and six-member rings) and rg(C1-C6) = 1.401(10) Å for that connecting five-member rings (the bond fusing six-member rings). The weighted average of the two bond lengths and the difference between them are the values 1.439(2) Å and 0.057(6) Å, respectively. The diameter of the icosahedral sphere is 7.113(10) Å. The uncertainties in parentheses are estimated 2sgr values.

Submitted on August 6, 1991
Accepted on September 13, 1991


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
   Abstract »    PDF »
Chemistry of the Fullerenes: The Manifestation of Strain in a Class of Continuous Aromatic Molecules.
R. C. Haddon (1993)
Science 261, 1545-1550
   Abstract »    PDF »
C60 Rotation in the Solid State: Dynamics of a Faceted Spherical Top.
R. D. JOHNSON, C. S. YANNONI, H. C. DORN, J. R. SALEM, and D. S. BETHUNE (1992)
Science 255, 1235-1238
   Abstract »    PDF »


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Science. ISSN 0036-8075 (print), 1095-9203 (online)