ISSN 2687-0568
Russian

Classification of Fullerene Isomers from C40 to C48

Authors
Alexander I. Melker 1 , Aleksandra N. Matvienko 2 , Maria A. Krupina 3

1 St. Petersburg Academy of Sciences on Strength Problems, Peter the Great St. Petersburg Polytechnic University,Polytekhnicheskaya 29, 195251, St. Petersburg, Russian Federation

2 Department of Mechanics and Control Processes, Peter the Great St. Petersburg Polytechnic University,Polytekhnicheskaya 29, 195251, St. Petersburg, Russian Federation

3 Department of Physics, Peter the Great St. Petersburg Polytechnic University, Polytekhnicheskaya 29, 195251, St. Petersburg,Russian Federation

10.17586/2687-0568-2022-4-2-51-76
Rev. Adv. Mater. Technol., 2022, vol. 4, no. 2, pp. 51–76
Abstract

We have designed possible structures of the isomers of midi-fullerenes, namely C40, C42, C44, C46, and C48; three the most natural mechanisms of their formation being used: fusion of carbon cupolas having the same symmetry; fusion of fullerenes having compatible symmetry and embedding carbon dimers into initial fullerenes. The energies of the fullerenes calculated through the use of molecular mechanics are presented together with their graphs. It is found that in the majority of cases the minimum-energy fullerenes are those, which have tetrahedral symmetries. The maximum-energy fullerenes refer to the three-fold T-symmetry.

Keywords
Isomer; Fullerene; Graph; Growth; Symmetry
References
Volume 4, No 2
pages 51-76
Files
History
Receive Date:  25 April 2022
Accepted Date:  29 May 2022
Available online:  30 June 2022
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