Concepedia

Bond Lengths in Free Molecules of Buckminsterfullerene, C <sub>60</sub> , from Gas-Phase Electron Diffraction

Kenneth Hedberg, Lise Hedberg, Donald S. Bethune, Charles A. Brown, Harry C. Dorn, Robert D. Johnson, Mattanjah S. de Vries

Science · 1991 · 649 citations · 6 references

Abstract

Electron diffraction patterns of the fullerene C(60) in the gaseous state have been obtained by volatilizing it from a newly designed oven-nozzle at 730 degrees 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 r(g)(C(1)-C(2)) = 1.458(6) angstroms (A) for the thermal average bond length within the five-member ring (that is, for the bond fusing five- and six-member rings) and r(g)(C(1)-C(6)) = 1.401(10) A 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) A and 0.057(6) A, respectively. The diameter of the icosahedral sphere is 7.113(10) A. The uncertainties in parentheses are estimated 2sigma values.

References

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Wolfgang Krätschmer, Lowell D. Lamb, K. Fostiropoulos et al. · Nature · 1990

+4

7.6K citations

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R. E. Haufler, J. Conceição, L. P. F. Chibante et al. · The Journal of Physical Chemistry · 1990

+11

983 citations

NMR determination of the bond lengths in C60

C. S. Yannoni, P. Bernier, Donald S. Bethune et al. · Journal of the American Chemical Society · 1991

423 citations

C60 has icosahedral symmetry

Robert D. Johnson, Gerard Meijer, Donald S. Bethune · Journal of the American Chemical Society · 1990

248 citations

The equilibrium geometry of C60 as predicted by second-order (MP2) perturbation theory

Macro Häser, Jan Almløf, Gustavo E. Scuseria · Chemical Physics Letters · 1991

+8

217 citations