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

页码：11733 / 11739

页数：7

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