Cahn-Ingold-Prelog Descriptors of Absolute Configuration for Carbon Cages

摘要

A simplified procedure is described for assigning Cahn-Ingold-Prelog descriptors to stereocentres in spheroalkanes(the C_nH_N molecules, with n even, based on trivalent, polyhedral carbon frameworks, a class which subsumes the fulleranes). By extension, similar descriptors can be found for the atoms of fullerenes and related carbon-only molecules. Assignment maps are given for chiral fullerenes C_(28), C_(76), C_(78), C_(84) and C_(140), and for a number of spheroalkanes. Cases of breakdown of the simple procedure for triangle-rich spheroalkane molecular graphs are discussed.