富勒烯
化学
五角形
密度泛函理论
计算化学
立体化学
结晶学
有机化学
政治学
法学
作者
Yuan-Zhi Tan,Jia Li,Feng Zhu,Xiguang Han,Wen-Sheng Jiang,Rong-Bin Huang,Zhiping Zheng,Zhuo Zhen Qian,Rui Ting Chen,Zhao Jiang Liao,Su-Yuan Xie,Xin Lu,Lan-Sun Zheng
出处
期刊:Nature Chemistry
[Springer Nature]
日期:2010-04-01
卷期号:2 (4): 269-273
被引量:96
摘要
The triple sequentially fused pentagons (TSFP) motif is one of the basic subunits that could be used for constructing fullerenes, but it violates the isolated pentagon rule (IPR) and has not been found in carbon cages to date. The properties of TSFP-incorporating fullerenes are thus poorly explored both theoretically and experimentally. Reported herein are four chlorinated derivatives of three different fullerene cages, all with the TSFP motif. X-ray crystallographic analyses indicate that the molecular strain inherent to the pentagon adjacency of a TSFP is significantly relieved upon exohedral chlorination, leaving one of the four pentagon fusion sites unsaturated and rendering the present derivatives chiral. This unique reactivity, in stark contrast to that of previously reported non-IPR fullerenes containing double fused pentagons or triple directly fused pentagons, can be rationalized by density functional theory calculations, and are expected to stimulate further studies of these new members of the fullerene family, both theoretically and experimentally.
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