Electronic structure and chemical reactivity of carbon nanotubes: a chemist's view.
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 mechanisms used in organic chemistry and to predict intriguing chemical selectivity based on electronic structure.
Joselevich
Ernesto
E
Department of Materials and Interfaces, Weizmann Institute of Science, Rehovot 76100, Israel. ernesto.joselevich@weizmann.ac.il
D002244:Carbon / Q000737:chemistry; D002621:Chemistry / Q000379:methods*; D004583:Electrons; D008958:Models, Molecular; D037742:Nanotubes, Carbon / Q000737:chemistry*
D037742:Nanotubes, Carbon; D002244:Carbon