Topochemistry of Spatially Extended sp2 Nanocarbons: Fullerenes, Nanotubes, and Graphene
This chapter presents sp 2 nanocarbons as a new class of topochemical species from the insight of the computational study of peculiar properties that accompany the formation of different composite, at least, one member of that is a sp 2 nanocarbon. The co
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Topochemistry of Spatially Extended sp2 Nanocarbons: Fullerenes, Nanotubes, and Graphene Elena F. Sheka
Abstract This chapter presents sp2 nanocarbons as a new class of topochemical species from the insight of the computational study of peculiar properties that accompany the formation of different composite, at least, one member of that is a sp2 nanocarbon. The composites, which are resulted from either the “double(C–C)-bond” reactions between two sp2 nanocarbons or the “atom-(C–C)-bond” reactions, concerned with a monatomic species deposition on the nanocarbons, manifest clearly seen properties that can be addressed to the action of either internal or external topology. The internal topology is attributed to the inherited properties of each nanocarbon while the external topology is related to external factors that drastically influence the chemical reactions involving nanocarbons.
5.1 Introduction The modern topology in chemistry covers two large valleys, namely, formal, mathematical and empirical, chemical. The former is concerned with the description of molecular structures on the basis of finite topological spaces. The space shows itself as a mathematical image or instrument of theoretical study. A large collection of comprehensive reviews, related to a topological description of fullerenes from this viewpoint, has recently been published (Cataldo et al. 2011). The second field covers vastly studied topochemical reactions. The space in this case is a physical reality defining the real place where the reactions occur. If the appearance of mathematical topology in chemistry can be counted off the publication of the Merrifield and Simmons monograph in 1989 (Merrifield and Simmons 1989), topochemical reactions have been studying from the nineteenth century (see Schmidt 1971 and
E.F. Sheka () Peoples Friendship University of Russia, 117198 Moscow, Russia e-mail: [email protected] A.R. Ashrafi et al. (eds.), Topological Modelling of Nanostructures and Extended Systems, Carbon Materials: Chemistry and Physics 7, DOI 10.1007/978-94-007-6413-2 5, © Springer ScienceCBusiness Media Dordrecht 2013
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references therein). The first stage of the study was completed in the late 1920s (de Jong 1923) and then obtained a new pulse after appearing the Woodward and Hoffmann monograph, devoted to the conservation of orbital symmetry, in 1970 (Woodward and Hoffmann 1970). Since then, topochemical reactions have become an inherent part of not only organic but inorganic chemistry, as well. The readers, who are interested in this topic, are referred to a set of comprehensive reviews (Schmidt 1971; Enkelmann 1984; Hasegawa 1986; Boldyrev 1990; MacGillivray and Papaefstathiou 2004), but a few. The current situation in this field can be seen by the example of a direct structural understanding of a topochemical solid-state photopolymerization reaction (Guo et al. 2008). Nowadays, we are witnessing the next pulse, stimulating investigations in the field, that should be attributed to the appearance of a new class of sp
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