Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов (Nov 2014)
[C60]- FULLERENE.COUNTING AND ORDERING ISOMER OF SUBSTITUTIONS ON THE TOPS, EDGES, AND FACES
Abstract
This paper discusses the substitution isomers on vertices, edges and faces of the [C60] fullerene. The derivation of the isomers based on Polya theorem. Installed formula symmetry Z, generating functions for determining the number of chiral and non-chiral isomers substitution distribution isomers families ρ(m), and depending on the number m of seats substitution. By additive scheme calculated thermodynamic properties (ΔfH°298, S°298, C°p298, ΔHsubl, ΔfG°298, lgK298) gaseous [C60]-[C100] -fullerens.