No 1, Vol. 34, 2017, pages 37-45


Alexander I. Melker, Maria A. Krupina, Ruslan M. Zarafutdinov


Fusion reactions of cupola half-fullerenes C10, C12, C16, C18, C20, C24, C30 and C36 with each other are considered on the basis of Arrhenius.s postulate. It means that at first there forms an intermediate compound and only afterwards a usual chemical reaction is going on. The final structure of fullerenes is obtained with the help of geometric modeling and is optimized through the use of Avogadro package. In general, the fullerenes which tend to take the appearance of a perfect spheroid have lesser formation energy. However, in some case selforganization of unshared electron pairs prevails. The energy of fullerenes C26, C30, C40, C50 and C60 obtained is calculated and is explained in the context of strain-related stability as well as in the framework of interaction of electron valence pairs.

Keywords: cluster, cupola, energy, fullerene, fusion, modeling.

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