C86富勒烯两种异构体的氯化：C86(16)Cl16、C86(17)Cl18、C86(17)Cl20和C86(17)Cl22的分子结构
Chlorination of two isomers of C86 fullerene: molecular structures of C86 (16)Cl16 , C86 (17)Cl18 , C86 (17)Cl20 , and C86 (17)Cl22.
作者信息
Yang Shangfeng, Wei Tao, Troyanov Sergey I
机构信息
CAS Key Laboratory of Materials for Energy Conversion & Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (P. R. China).
出版信息
Chemistry. 2014 Oct 27;20(44):14198-200. doi: 10.1002/chem.201404300. Epub 2014 Sep 15.
Chlorination of a mixture of C86 isomers no. 16 (Cs ) and no. 17 (C2 ) with VCl4 or a (TiCl4 +Br2 ) mixture afforded crystalline chlorides with 16 to 22 Cl atoms per fullerene cage. Single crystal X-ray diffraction with the use of synchrotron radiation enabled us to determine the chlorination patterns of C86 (16)Cl16 , C86 (17)Cl18 , C86 (17)Cl20 , and C86 (17)Cl22 . At these degrees of chlorination, addition patterns of C86 (16) and C86 (17) chlorides have some features in common, owing to the close similarity in the cage structures of both isomers. The average energy of CCl bonds decreases with increasing number of attached Cl atoms.
用VCl₄或（TiCl₄ + Br₂）混合物对C86异构体16号（Cs）和17号（C2）的混合物进行氯化反应，得到每个富勒烯笼含有16至22个氯原子的结晶氯化物。利用同步辐射进行单晶X射线衍射，使我们能够确定C86(16)Cl16、C86(17)Cl18、C86(17)Cl20和C86(17)Cl22的氯化模式。在这些氯化程度下，由于两种异构体的笼结构非常相似，C86(16)和C86(17)氯化物的加成模式有一些共同特征。CCl键的平均能量随着连接的Cl原子数增加而降低。
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