Tamm Nadezhda B, Yang Shangfeng, Wei Tao, Troyanov Sergey I
Chemistry Department, Moscow State University , Leninskie gory, 119991 Moscow, Russia.
Inorg Chem. 2015 Mar 16;54(6):2494-6. doi: 10.1021/ic503118t. Epub 2015 Feb 20.
High-temperature chlorination and trifluoromethylation of C94 isomeric mixtures followed by single-crystal X-ray diffraction with the use of synchrotron radiation resulted in the structure determination of C94(34)Cl14, C94(61)Cl20, C94(133)Cl22, C94(42)(CF3)16, and C94(43)(CF3)18. Their addition patterns are stabilized by the formation of isolated C═C bonds and aromatic substructures. Four cage isomers of C94 (nos. 34, 42, 43, and 133) have been experimentally confirmed for the first time.
对C94异构体混合物进行高温氯化和三氟甲基化，随后利用同步辐射进行单晶X射线衍射，确定了C94(34)Cl14、C94(61)Cl20、C94(133)Cl22、C94(42)(CF3)16和C94(43)(CF3)18的结构。它们的加成模式通过孤立的C═C键和芳香亚结构的形成得以稳定。首次通过实验证实了C94的四种笼状异构体（编号34、42、43和133）。
