Original scientific paper

Kekulé Structures of Fullerene C70

Milan Randić
Damir Vukičević

Abstract

Despite that, besides Buckminsterfullerene C60, fullerene C70 is the next most stable structure, there are considerable differences in structural properties of these two most common fullerenes. The paper reports on numerous mathematical properties of the set of Kekulé structures of C70. Of over 50,000 Kekulé structures of fullerene C70, only 2780 Kekulé valence structures are distinct, while all the others are symmetry related. The subset of distinct Kekulé valence structures was examined and classified into six classes according to the degree of freedom (df), varying from df = 5 to df = 11. Enumeration of conjugated circuits R1, R2 and R3 points to two symmetry related dominant Kekulé structures having the maximal number of 20 R1. There are 16 distinct symmetry unrelated Kekulé structures of C70 that have no conjugated circuits R1 at all.

Keywords

fullerene; Kekulé structures; conjugated circuits; Resonance Graph

Hrčak ID:

5657

URI

https://hrcak.srce.hr/5657

Publication date:

12.11.2006.

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