Journal
CHEMPHYSCHEM
Volume 5, Issue 5, Pages 619-624Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.200301049
Keywords
aromaticity; molecular electronics; nanotechnology; nanotubes; orbital symmetry
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A qualitative description of the electronic structure of single wall carbon nanotubes from a chemical perspective is presented using real-space orbital representations and traditional concepts of aromaticity, orbital symmetry and frontier orbitals. This unusual view of carbon nanotubes allows us to merge the solid-state physics description of band-structures with the molecular orbitals framework of reaction mechanism used in organic chemistry and to predict intriguing chemical selectivity based on electronic structure.
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