title: Retro-leapfrog and related retro map operations.
abstract: Operations on maps are well-known theoretical tools for transforming a given polyhedral tessellation. Several theoretical investigations of fullerenes, such as their pi-electronic structure and stability, need information on the original map which was transformed into a larger molecular structure. In this respect, retro-operations, particularly those of the most used leapfrog, chamfering, and capra operations, appear particularly useful in searching the associate graphs of fullerenes. A series of analyzed cages proved to be leapfrog transforms of smaller cages. This information was useful in understanding their closed pi-electronic structure and related properties including the local aromaticity. An index based on the optimized geometries enabled the evaluation of aromaticity of their various substructures. Pictorial images of the pi-electron distribution as the main Kekulé valence structures have been performed by the aid of the JSCHEM software package.
authors.affiliation: Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 400028 Cluj, Romania.
authors.forename: Aniela E
authors.initials: AE
authors.lastname: Vizitiu
authors.forename: Mircea V
authors.initials: MV
authors.lastname: Diudea
authors.forename: Sonja
authors.initials: S
authors.lastname: Nikolić
authors.forename: Dusanka
authors.initials: D
authors.lastname: Janezic
mesh_terms: D002244:Carbon / Q000737:chemistry; D002621:Chemistry / Q000379:methods*; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D004583:Electrons; D037741:Fullerenes / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D012984:Software
chemical_list: D037741:Fullerenes; D002244:Carbon