Chlorofullerenes featuring triple sequentially fused pentagons View Full Text


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Article Info

DATE

2010-04

AUTHORS

Yuan-Zhi Tan, Jia Li, Feng Zhu, Xiao 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

ABSTRACT

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. More... »

PAGES

269

Identifiers

URI

http://scigraph.springernature.com/pub.10.1038/nchem.549

DOI

http://dx.doi.org/10.1038/nchem.549

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1024065698

PUBMED

https://www.ncbi.nlm.nih.gov/pubmed/21124506


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