Isomers of C46 fullerene with carbyne chains

The dynamics of the processes of isomerization and decomposition of C₄₆ fullerene has been studied by computer simulation in the real-time regime. At an intermediate stage of evolution of the cluster (before it loses the spheroidal shape), isomers in which groups of adjacent pentagons and hexagons of C-C bonds are connected to each other with two-, four-, and six-atomic carbyne chains have been revealed. An analysis of the potential energy hypersurface has demonstrated that the isomers are quite stable and some of them can be observed experimentally.