Ignat'eva Daria V, Goryunkov Alexey A, Tamm Nadezhda B, Ioffe Ilya N, Avdoshenko Stanislav M, Sidorov Lev N, Dimitrov Anton, Kemnitz Erhard, Troyanov Sergey I
Chemistry Department, Moscow State University, Leninskie Gory, 119992 Moscow, Russia.
Chem Commun (Camb). 2006 Apr 28(16):1778-80. doi: 10.1039/b518422c. Epub 2006 Mar 17.
Two isomers of C70(CF3)12 have been isolated from a mixture obtained by trifluoromethylation of C70 with CF3I; their molecular structures determined by X-ray crystallography are in good agreement with the results of theoretical DFT calculations for the most stable C70(CF3)12 isomers.
从通过C70与CF3I进行三氟甲基化反应得到的混合物中分离出了C70(CF3)12的两种异构体；通过X射线晶体学确定的它们的分子结构与最稳定的C70(CF3)12异构体的理论密度泛函理论（DFT）计算结果高度吻合。
