Abstract
The discovery of fullerenes in quasicrystals having a symmetry of icosahedral point groups stimulated the interest to the usage of symmetry point groups having axes of the 5th order incompatible with the symmetry of infinite crystal lattice. Of interest are the crystals obtained from the [C60]–[C100] molecules. These molecules may form crystals (fullerides) together with other chemical elements and radicals. The structures having carbon layers forming lengthy hollow cylinders (carbon nanotubes ending with half-spherical cap) are distorted halves of fullerene molecule. Some nanotubes have open ends. Nanotubes combine the properties of a molecule with one-dimensional solid body. They are characterized by a large variety of properties perspective for applications. A method is proposed of the property prediction for the series of isomer substitutions of basic structure making use of the polygonal number splitting of the Pascal triangle (Smolyakov et al., Abstract of the XVIII Mendeleev conference on general applied chemistry, vol 2, Moscow, 23–28 Sept 2007, p 524; Nilov et al., Fullerenes C60 – C80: enumeration of exohedral substitution isomers and methods of thermodynamical properties estimation, In: Abstracts of VIII international conference solid state chemistry and contemporary micro- and nanotechnologies, Kislovodsk, 14–19 Sept 2008, pp 366–368 (in Russian); Smolyakov, About construction of additive schemes calculation of alkanes properties in the third approximation, Calculation methods in physical chemistry, KSU, Kalinin, pp 39–68, 1988; Smolyakov et al. C60 and C78 fullerenes: identification of exohedral substitution isomers. In: Abstracts of IX national conference on crystal growth, Moscow, 16–20 Oct 2000, pp 650 (in Russian); Yu et al., Vestnik Tver State Univ Ser Chem 2(30):87–94, 2007 (in Russian); Smolyakov et al. Rare Mater Technol 28:626–636, 2009). With the aid of the analysis of molecule structural elements On the basis of the analysis of fullerene molecule structural elements a formula is obtained for the calculation of fullerene thermodynamical properties. Calculations are made for \( {\hbox{C}}_{\rm{p298K}}^{\rm{o}} \), ΔHsubl, of gaseous clusters [C60]–[C100], not studied experimentally.
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Smolyakov V, Sokolov D, Nilov D, Grebeshkov V, Fedin D (2009) Fullerenes C60–C80: enumeration of exohedral substitution isomers and methods of thermodynamical properties estimation. Rare Mater Technol 28:626–636
Nilov DY, Sokolov DV, Fedin DM, Grebeshkov VV, Smolyakov VM (2008) Fullerenes C60–C80: enumeration of exohedral substitution isomers and methods of thermodynamical properties estimation. In: Abstracts of VIII international conference solid state chemistry and contemporary mcro- and nanotechnologies, Kislovodsk, 14–19 Sept 2008, pp 366–368 (in Russian)
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Smolyakov VM, Sokolov DV, Nilov DY (2007) Fullerenes, carboranes, adamantane, arenas: the generation of isomers and evaluation of their properties on the graph model on the basis of Pascal's triangle. Abstracts of the XVIII Mendeleev conference on general and applied chemistry, vol 2, Moscow, 23–28 Sept 2007, p 524
Smolyakov VM (1988) About construction of additive schemes calculation of alkanes properties in the third approximation, Calculation methods in physical chemistry. KSU, Kalinin, pp 39–68
Smolyakov VM, Sokolov DV, Nilov DYu, Polyakov MN (2000) C60 and C78 fullerenes: identification of exohedral substitution isomers. In: Abstracts of IX national conference on crystal growth, Moscow, 16–20 Oct 2000, pp. 650 (in Russian)
Yu ND, Sokolov DV, Smolyakov VM, Nikolenko AYu (2007) Role of triangular numbers in the construction of calculation schemes of heterosystems properties. Vestn Tver State Univ Ser Chem 2(30):87–94 (in Russian)
Smolyakov VM, Sokolov DV, Nilov DYu (2000) C60 and C70 fullerenes: formulae of symmetry for generation of exohedral substitution isomers. In: Proceedings of the IV international conference on mathematical modelling, vol 2, MSTU, Stankin, Moscow, pp. 238–242 (in Russian)
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Smolyakov, V.M., Sokolov, D.V., Nilov, D.Y., Grebeshkov, V.V., Fedin, D.M. (2011). [C76] – Fullerenes: Enumeration of Isomer Substitutions in Terms of Apical, Edge and Face Differentiation. In: Zaginaichenko, S., Schur, D., Skorokhod, V., Veziroglu, A., İbrahimoğlu, B. (eds) Carbon Nanomaterials in Clean Energy Hydrogen Systems - II. NATO Science for Peace and Security Series C: Environmental Security, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-0899-0_30
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DOI: https://doi.org/10.1007/978-94-007-0899-0_30
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