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C70(CF3)16和C70(CF3)18的制备、晶体学表征及理论研究

Preparation, crystallographic characterization and theoretical study of C70(CF3)16 and C70(CF3)18.

作者信息

Avdoshenko Stanislav M, Goryunkov Alexey A, Ioffe Ilya N, Ignat'eva Daria V, Sidorov Lev N, Pattison Philip, Kemnitz Erhard, Troyanov Sergey I

机构信息

Chemistry Department, Moscow State University, Leninskie Gory, 119992 Moscow, Russia.

出版信息

Chem Commun (Camb). 2006 Jun 21(23):2463-5. doi: 10.1039/b603201j. Epub 2006 May 3.

Abstract

C70(CF3)16 and C70(CF3)18, the first trifluoromethylated fullerene derivatives to comprise a pair of adjacent CF3 groups, have been isolated from a mixture obtained via reaction of C70 with CF3I, characterized in a single crystal XRD study and theoretically investigated at the DFT level of theory.

摘要

C70(CF3)16和C70(CF3)18是首批包含一对相邻CF3基团的三氟甲基化富勒烯衍生物,它们是从C70与CF3I反应所得的混合物中分离出来的,通过单晶X射线衍射研究对其进行了表征,并在密度泛函理论(DFT)水平上进行了理论研究。

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