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Possible symmetries of fullerene structures

✍ Scribed by P.W. Fowler; D.E. Manolopoulos; D.B. Redmond; R.P. Ryan


Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
736 KB
Volume
202
Category
Article
ISSN
0009-2614

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✦ Synopsis


Fullerene polyhedra are realisable within exactly 28 point groups: Ib, I, Td, Th, T, Dnh, Dnd, D. (n=l, 3, 5,6), Sl,,,, Cmnh, C,, C, (m=2,3), C, Ci, C,. Examples of each group can be found within the range CzO to Clw, and isolated-pentagon fullerenes can be constructed for all 28 groups. The presence of a fivefold axis implies icosahedral or dihedral symmetry, and a sixfold axis implies dihedral symmetry. For groups with these axes of high order, the ring spiral algorithm is shown to be complete. It is shown that the NMR spectrum of any single fullerene isomer can contain peaks of at most three different intensities. Classification of the 18 12 hypothetical Cm fullerene isomers illustrates the overwhelming likelihood that a randomly constructed fullerene cage will be totally asymmetric.


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Based on our Hfickel calculated results for icosahedral fullerenes, the molecules C. with n = 60N are closed shell, where N has to satisfy the group requirements. By using the representative patch, we obtain the symmetries of "~ molecular orbitals for the icosahedral fullerenes. With the aid of the