Hefei National Laboratory for Physical Sciences at Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China).
Angew Chem Int Ed Engl. 2014 Feb 24;53(9):2460-3. doi: 10.1002/anie.201310099. Epub 2014 Jan 29.
Chlorination of C100 fullerene with a mixture of VCl4 and SbCl5 afforded C96Cl20 with a strongly unconventional structure. In contrast to the classical fullerenes containing only hexagonal and pentagonal rings, the C96 cage contains three heptagonal rings and, therefore, should be classified as a fullerene with a nonclassical cage (NCC). There are several types of pentagon fusions in the C96 cage including pentagon pairs and pentagon triples. The three-step pathway from isolated-pentagon-rule (IPR) C100 to C96(NCC-3hp) includes two C2 losses, which create two cage heptagons, and one Stone-Wales rotation under formation of the third heptagon. Structural reconstruction established C100 isomer no. 18 from 450 topologically possible IPR isomers as the starting C100 fullerene. Until now, no pristine C100 isomers have been confirmed based on the experimental results.
C100 富勒烯与 VCl4 和 SbCl5 的混合物氯化生成具有强烈非常规结构的 C96Cl20。与仅包含六元和五元环的经典富勒烯不同，C96 笼包含三个七元环，因此应归类为具有非经典笼（NCC）的富勒烯。C96 笼中有几种五元环融合，包括五元双环和五元三环。从孤立五边形规则（IPR）C100 到 C96（NCC-3hp）的三步途径包括两个 C2 的损失，这会产生两个笼七元环，以及一个 Stone-Wales 旋转，形成第三个七元环。结构重建确定 C100 异构体号 18 是从 450 种可能的拓扑 IPR 异构体中作为起始 C100 富勒烯。到目前为止，根据实验结果，还没有确认原始的 C100 异构体。
