Yang Shangfeng, Wei Tao, Wang Song, Ioffe Ilya N, Kemnitz Erhard, Troyanov Sergey I
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 (USTC), Hefei 230026 (China).
Chem Asian J. 2014 Nov;9(11):3102-5. doi: 10.1002/asia.201402859. Epub 2014 Aug 28.
Chlorination of various HPLC fractions of C96 with a mixture of VCl4 and SbCl5 at 340-360 °C and single-crystal X-ray diffraction study of the products led to the identification of three new IPR isomers of C96. The C96(175) isomer forms a stable chloride, C96(175)Cl20, while chlorides of two other new isomers, C96(114) and C96(80), undergo cage shrinkage yielding C94(NC1)Cl28 and C96(NC2)Cl32 with non-classical (NC) cages. These two NC chlorides contain, respectively, one and two heptagons flanked by pairs of fused pentagons and are stabilized by chlorine attachment to the emerging pentagon-pentagon junctions. Thus, the number of the experimentally confirmed C96 isomers has reached nine, which corroborates the empirical rule that the C(6n) fullerenes exhibit particularly rich isomerism.
在340 - 360°C下，用VCl₄和SbCl₅的混合物对C96的各种高效液相色谱馏分进行氯化，并对产物进行单晶X射线衍射研究，从而鉴定出三种新的C96的IPR异构体。C96(175)异构体形成一种稳定的氯化物C96(175)Cl₂₀，而另外两种新异构体C96(114)和C96(80)的氯化物会发生笼收缩，生成具有非经典(NC)笼的C94(NC1)Cl₂₈和C96(NC2)Cl₃₂。这两种NC氯化物分别包含一个和两个由成对的稠合五边形包围的七边形，并通过氯连接到新出现的五边形 - 五边形连接处而得以稳定。因此，经实验确认的C96异构体数量已达到九个，这证实了经验规则，即C(6n)富勒烯表现出特别丰富的异构体现象。
