D5h C50 fullerene:: A building block for oligomers and solids?

被引:0
|
作者
Zhechkov, L [1 ]
Heine, T [1 ]
Seifert, G [1 ]
机构
[1] Tech Univ Dresden, Inst Phys Chem & Elektrochem, D-01062 Dresden, Germany
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2004年 / 108卷 / 52期
关键词
D O I
10.1021/jp046318l
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 particular stability of recently synthesized C50Cl10 cage is discussed by means of its topology: the underlying C-50 cage consists of two corannulene frameworks which are connected by five C-2 units. C50X10 is another lower fullerene which has not been found experimentally in its bare form. Oligomerization and polymerization of C-50 and C50Hx are investigated. A minimum energy pathway to a D-5h(C-50)(6)H-40 structure is found. C-50 is a candidate structure to form oligomers and fullerides. The preferred bridging positions and the 5-fold symmetry suggest the formation of irregular polymers and oligomers.
引用
收藏
页码:11733 / 11739
页数:7
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