C60-based composites in view of topochemical reactions

The current paper is aimed at the determination of barriers that govern the covalent coupling between partners of C60-based composites consisting of two fullerenes C60 (C60 dimer), C60 and single-walled carbon nanotubes ([C60-(4,4)] carbon nanobuds), and C60 and graphene ([C60-(5,5)] and [C60-(9,8)]...

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Bibliographic Details
Published in:Journal of materials chemistry 2011-01, Vol.21 (43), p.17128-17146
Main Authors: Sheka, E. F., Shaymardanova, L. Kh
Format: Article
Language:English
Subjects:
Buckminsterfullerene
Covalence
Fullerenes
Graphene
Joining
Nanocomposites
Nanomaterials
Nanostructure
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Summary:The current paper is aimed at the determination of barriers that govern the covalent coupling between partners of C60-based composites consisting of two fullerenes C60 (C60 dimer), C60 and single-walled carbon nanotubes ([C60-(4,4)] carbon nanobuds), and C60 and graphene ([C60-(5,5)] and [C60-(9,8)] graphene nanobuds). Barrier energies are determined as coupling ones Etotcpl and are expanded over two contributions that present the total energy of deformation of the composites' components Etotdef and the energy of covalent coupling Etotcov. In view of these energetic parameters and in contrast to expectations, seemingly identical reactions that are responsible for the formation of intermolecular [2 + 2] cycloadditions in the studied composites result in different final products. This peculiarity is suggested to occur as a result of the topochemical character of the covalent coupling between the two members of the studied composites, once additionally complicated by the varied donor-acceptor contribution.
ISSN:0959-9428
1364-5501
DOI:10.1039/c1jm12411k