Fullerene isomers of C60. Kekulé counts versus stability

✍ Scribed by S.J. Austin; P.W. Fowler; P. Hansen; D.E. Monolopoulos; M. Zheng

• Book ID: 103032444
• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 632 KB
• Volume: 228
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(94)00965-1

✦ Synopsis

A count of KekulC structures for all 18 12 distinct fullerene isomers of CsO shows that 20 isomers surpass the count of 12500 for icosahedral Cbo, and demonstrates the lack of correlation between molecular-orbital indices of stability and raw KekulC counts for fullerenes. Analysis of Kekul6 structures in terms of benzenoid, cyclopentenoid and cyclopentadienoid rings reveals the source of the stability of icosahedral CsO in a localised model to be the fact that uniquely amongst the 18 12 structural isomers it has a Fries Kekult structure where all hexagons contain three double bonds and all pentagons none.