Covalently-bonded ''onion type'' double fullerenic carbon cages

被引:2
作者
Balaban, AT [1 ]
Seitz, WA [1 ]
Klein, DJ [1 ]
机构
[1] TEXAS A&M UNIV, GALVESTON, TX 77553 USA
来源
FULLERENE SCIENCE AND TECHNOLOGY | 1996年 / 4卷 / 03期
关键词
Atoms - Carbon - Chemical bonds - Molecular structure - Strain;
D O I
10.1080/10641229608001564
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
Three ''onion type'' double carbon cages (consisting of an inner sp(3)-hybridized C-60 buckminsterfullerene skeleton and an outer larger carbon cage with icosahedral symmetry, with covalent bonds between the carbon atoms of the 5-membered rings) are described and their strain energies are discussed : (i) when the outer cage is a C-120 Ca derived from buckminsterfullerene by replacing each bond between two six-membered rings by an acetylenic group, the strain is smallest; (ii) when the same derivation concerns each bond between 5- and 6-membered rings leading to a C-180 Outer cage, the strain is largest; (iii) when the outer cage is C-180 With benzenoid rings, the strain is intermediate.
引用
收藏
页码:467 / 476
页数:10
相关论文
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