Favorable structures for higher fullerenes

✍ Scribed by X. Liu; T.G. Schmalz; D.J. Klein

• Book ID: 103033998
• Publisher: Elsevier Science
• Year: 1992
• Tongue: English
• Weight: 332 KB
• Volume: 188
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(92)80864-8

✦ Synopsis

A study is made of elemental carbon cages corresponding to polyhedra with hexagonal and pentagonal faces such that no two pentagons abut. All such preferable cages of up to v=94 vertices are generated, and simple Hiickel MO and resonance-theoretic computations are made. The graphical structures more favored by these computations are reported for the experimentally relevant vertex (or atomic) counts of v= 60, 70, 76, 78, 84, and 90. The NMR line patterns for these favorable structures are also given.