Abstract
The structures of stable (i.e. produced, isolated and characterized) higher fullerenes have been analyzed. General rules governing the molecular structure of stable (extracted) higher fullerenes have been revealed. A number of fullerene substructures that have electronic features similar to their well known aromatic analogues have been identified. It has been shown, that the possibility of production of the isomers of higher fullerenes is defined by a position of the most energetically favorable isomer inside the suggested “beam of stability”, constructed according to the calculated data for stable fullerenes, that the molecules have closed shell.
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References
Khamatgalimov, A.R., Kovalenko, V.I. (2004) Endohedral higher metallofullerenes: structure and properties, Russ Chem Journ; 48(5), 28–36 (russian).
Chen, Z., Cioslowski, J., Rao, N., Moncrieff, D., Bühl, M., Hirsch, A., Thiel, W. (2001) Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms, Theor Chem Acc 106, 364–368.
Cioslowski J., Rao N., Moncrieff D. (2000) Standard Enthalpies of Formation of Fullerenes and Their Dependence on Structural Motifs, J Am Chem Soc 122, 8265–8270.
Chen, Z., Thiel, W. (2003) Performance of semiempirical methods in fullerene chemistry: relative energies and nucleus-independent chemical shifts, Chem Phys Lett 367, 15–25.
Kovalenko, V.I., Semyashova, M.V. (1999) φ-Bond Distribution of C60 and C70 and Some higher fullerenes. Abstracts, 4th biennial Workshop “Fullerenes and Atomic clusters” (IWFAC’99), 234.
Fowler, P.W., Manolopoulos, D.E. (1995) An Atlas of Fullerenes. Clarendon Press, Oxford.
Sun, G., Kertesz, M. (2001) Isomer Identification for Fullerene C84 by 13C NMR Spectrum: A Density-Functional Theory Study, J Phys Chem A 105, 5212–5220.
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KOVALENKO, V., KHAMATGALIMOV, A. (2007). ELECTRONIC STRUCTURE AND STABILITY OF HIGHER FULLERENES. In: Veziroglu, T.N., et al. Hydrogen Materials Science and Chemistry of Carbon Nanomaterials. NATO Security through Science Series A: Chemistry and Biology. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-5514-0_54
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DOI: https://doi.org/10.1007/978-1-4020-5514-0_54
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