MOLECULAR ELECTROSTATIC POTENTIAL TOPOGRAPHICAL STUDIES ON THE STRUCTURAL MOTIFS OF C-60

Citation
Ed. Jemmis et al., MOLECULAR ELECTROSTATIC POTENTIAL TOPOGRAPHICAL STUDIES ON THE STRUCTURAL MOTIFS OF C-60, Perkin transactions. 2, (11), 1996, pp. 2343-2346
Citations number
34
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
ISSN journal
03009580
Issue
11
Year of publication
1996
Pages
2343 - 2346
Database
ISI
SICI code
0300-9580(1996):11<2343:MEPTSO>2.0.ZU;2-9
Abstract
Molecular electrostatic potential topographical studies on the structu ral motifs of C-60 reveal unusual features, Ethylene, [5]radialene and corannulene are predicted to be structural motifs present in C-60. Ho wever, benzene does not fit into this framework. The double bonds in a ll the above molecules are activated upon pyramidalization at the carb on centre, the extent depending on the anisotropic environment of the conjugated carbon. The peripheral double bonds in corannulene are pred icted to be more susceptible to electrophilic attack in comparison to the exocyclic double bonds of the five-membered ring.