Original scientific paper

Combinatorial Construction of Fullerene Structures

Chih-Han Sah ; Department of Mathematics, State University of New York, Stony Brook, NY 11794-3651, USA

Abstract

Combinatorial fullerene structures (buckyballs for short) have been introduced as a result of the recent discovery of fullerene molecules in laboratories. The stable forms of these materials appear to depend on the method of production as well as on energetic considerations. To understand the stable forms, one would have to examine the confirmed structures among the theoretical structures. As an alternate route to computerized enumeration (which appears to be expensive and not totally safe), we present a procedure that is geometrically transparent. Under certain conditions, our procedure is economical and complete. For example, in the case of buckyballs C„ with v < 84 satisfying the isolated pentagon rule, our procedure can be carried out by hand. To distinguish the inequivalent structures, we present a procedure that does not involve costly spectral computation. In particular, we show that Cgo and C70 are uniquely characterized as the IPR C„ for the two smallest permissible values of v. Some of our results can be used to study qualitative selection rules as well as the structure of hexagonal cylinders.

Keywords

Hrčak ID:

137078

URI

https://hrcak.srce.hr/137078

Publication date:

1.6.1993.

Visits: 990 *