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Aromaticity of Carbon Nanotubes

I. Lukovits
Chemical Research Center of the Hungarian Academy of Sciences, HU

Keywords:
reactivity, quantum chemistry, Kekulé structure,

Abstract:
Carbon nanotubes CNTs are peri-condensed benzenois, and therefore highly aromatic systems. Aromatic systems can not readily enter addition reactions. The extent of aromaticity was estimated by enumerating the Kekulé structures in CNTs.For this purpose, several algorithms have been devised. Armchair CNTs are more aromatic than armchair nanobelts. The effect of functionalization was studied by investigating imperfect patterns. Functionalized CNTs are slightly more aromatic than CNTs, and therefore are at least as inert as CNTs with respect to addition reactions.

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