Non-bonding orbitals in graphite, carbon tubules, toroids andfullerenes
1997
It is shown that the non-bonding orbitals of many graphite-derived
carbon frameworks can be understood in terms of the four non-bonding
orbitals of the graphite sheet. Several infinite series of fullerenes
with non-bonding orbitals are identified, and the frontier orbitals of
icosahedral fullerenes rationalised, by considering fullerenes as cut
and folded graphite. The leapfrog construction, which produces only
closed-shells when acting on fullerenes, is shown in contrast to
produce exactly the metallic tubules and the open-shell polyhex
toroids when acting within these families.
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