Extremal fullerene graphs with the maximum Clar number

Abstract

AbstractA fullerene graph is a cubic 3-connected plane graph with (exactly 12) pentagonal faces and hexagonal faces. Let Fn be a fullerene graph with n vertices. A set H of mutually disjoint hexagons of Fn is a sextet pattern if Fn has a perfect matching which alternates on and off every hexagon in H. The maximum cardinality of sextet patterns of Fn is the Clar number of Fn. It was shown that the Clar number is no more than ⌊n−126⌋. Many fullerenes with experimental evidence attain the upper bound, for instance, C60 and C70. In this paper, we characterize extremal fullerene graphs whose Clar numbers equal n−126. By the characterization, we show that there are precisely 18 fullerene graphs with 60 vertices, including C60, achieving the maximum Clar number 8 and we construct all these extremal fullerene graphs