Electronic structure and stability of higher fullerenes

被引：8
|
作者：
Kovalenko, V. I. [1 ]
Khamatgalimov, A. R. [1 ]
机构：
[1] Russian Acad Sci, AE Arbuzov Organ & Phys Chem Inst, Kazan 420088, Russia
来源：
HYDROGEN MATERIALS SCIENCE AND CHEMISTRY OF CARBON NANOMATERIALS | 2007年
关键词：
fullerene; computational chemistry; chemical structure; electronic structure;
D O I：
10.1007/978-1-4020-5514-0_54
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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 fallerenes, that the molecules have closed shell.
引用
收藏
页码：437 / +
页数：2
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