Crystal structures of Saturn-like C50Cl10 and pineapple-shaped C64Cl4:: Geometric implications of double- and triple-pentagon-fused chlorofullerenes

被引:101
作者
Han, Xiao
Zhou, Sheng-Jun
Tan, Yuan-Zhi
Wu, Xin
Gao, Fei
Liao, Zhao-Jiang
Huang, Rong-Bin
Feng, Yu-Qi [2 ]
Lu, Xin
Xie, Su-Yuan [1 ]
Zheng, Lan-Sun
机构
[1] Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China
[2] Wuhan Univ, Dept Chem, Wuhan 430072, Peoples R China
关键词
aromaticity; cage compounds; density functional calculations; fullerenes; X-ray diffraction;
D O I
10.1002/anie.200800338
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) Planet pineapple: The structures of two isolated pentagon rule (IPR)-violating chlorofullerenes (C50Cl10 and C64Cl4; see picture) are determined by X-ray crystallography and their stabilities rationalized by relief of strain at the active pentagon-fusion carbon atoms whilst maintaining the aromaticity of their carbon skeletons. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:5340 / 5343
页数:4
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