Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. Founded at 2009

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

V.M. Smolyakov, V.D. Sokolov, D.Yu.. Nilov, V.V. Grebeshkov

DOI: 10.26456/pcascnn/2014.6.370

Original article

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) m , and depending on the number m of seats substitution. By additive scheme calculated thermodynamic properties ( ∆ fH°298 , S°298 , C°p298 , ∆Hsubl , ∆fG°298 , lgK298 ) gaseous [C60] – [C100] -fullerens.

Keywords: fullerenes, counting and ordering of isomers replacement elements and symmetry operations, generating functions, chirality, achiral

  • V.M. Smolyakov
  • V.D. Sokolov
  • D.Yu.. Nilov
  • V.V. Grebeshkov

Reference:

Smolyakov V.M., Sokolov V.D., Nilov D.Yu.., Grebeshkov V.V. [C60] -fulleren. Podschet i sistematizatsiya izomerov zameshcheniya po vershinam, reberam i granyam [[C60] – FULLERENE. COUNTING AND ORDERING ISOMER OF SUBSTITUTIONS ON THE TOPS, EDGES, AND FACES], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2014, issue 6, pp. 370-378. DOI: 10.26456/pcascnn/2014.6.370. ⎘

Full article (in Russian): download PDF file

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