Isomers of Fullerenes from C50 to C56

被引:1
作者
Melker, Alexander I. [1 ]
Matvienko, Aleksandra N. [2 ]
Krupina, Maria A. [3 ]
机构
[1] St Petersburg Acad Sci Strength Problems, St Petersburg, Russia
[2] Peter the Great St Petersburg Polytech Univ, Dept Mech & Control Proc, 29 Polytekhn Skaya Str, St Petersburg 195251, Russia
[3] Peter the Great St Petersburg Polytech Univ, Dept Phys, 29 Polytekhn Skaya Str, St Petersburg 195251, Russia
来源
NONLINEAR PHENOMENA IN COMPLEX SYSTEMS | 2023年 / 26卷 / 01期
关键词
atomic isomer; dimer embedding; fullerene; fusion reaction; graph representation; growth; periodic system; self-organization; symmetry; topology; MODELING GROWTH; MIDI-FULLERENES; NUCLEATION; NANOTUBES;
D O I
10.33581/1561-4085-2023-26-1-1-18
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have designed possible structures of isomers of midi-fullerenes from C50 to C56. The fullerenes studied refer to three-, four-, five-, six-fold and tetrahedral symmetry. At that they can be divided into two classes, perfect (basic) having ordinary symmetry of one of these types and intermediate having the same but topological symmetry. We have used three the most natural mechanisms of their formation, namely, fusion of carbon cupolas having the same symmetry; fusion of fullerenes having compatible symmetry and embedding carbon dimers into the hexagons with a specific surrounding of initial fullerenes. The energies of the fullerenes calculated through the use of molecular mechanics are presented together with their graphs. Their energy is possible to justify on the basis of the periodic system of basic perfect fullerenes.
引用
收藏
页码:1 / 18
页数:18
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