[C60]- FULLERENE.COUNTING AND ORDERING ISOMER OF SUBSTITUTIONS ON THE TOPS, EDGES, AND FACES

• Main Authors: V.M. Smolyakov, D.V. Sokolov, D.Yu. Nilov, V.V. Grebeshkov
• Format: Article
• Language: Russian
• Published: Tver State University 2014-11-01
• Series: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
• Subjects: fullerenes; counting and ordering of isomers replacement elements and symmetry operations; generating functions; chirality; achiral
• Online Access: http://physchemaspects.ru/archives/2014/%D0%A4%D0%A5-2014.%20%D0%A1%D0%BC%D0%BE%D0%BB%D1%8F%D0%BA%D0%BE%D0%B2%20%D0%92%D0%9C.pdf

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.