(1) Physics Department, Institute for Energy Technology, N-2027 Kjeller, Norway;(2) Physics Department, Institute for Energy Technology, N-2027 Kjeller, Norway;(3) Department of Physics, University of Oslo, Blindern, N-0316 Oslo, Norway
Abstract:
We use interlacing techniques to prove that carbon nanocones who have a Fries Kekulé structure have closed Hückel shells, and that this result can be extended to all conjugated cones where each edge belongs to a hexagonal face and the configuration of the non-hexagonal faces are consistent with a Fries Kekulé structure. Cones with Fries Kekulé structure or substructure are topical—not only from a valence bond theoretical point of view—since a previous ab initioanalysis favored cones where the pentagons at the tip are configured as in a Fries Kekulé structure. The question of interdependence will therefore be addressed.
