Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12

Daria V Ignat'eva; Alexey A Goryunkov; Nadezhda B Tamm; Ilya N Ioffe; Stanislav M Avdoshenko; Lev N Sidorov; Anton Dimitrov; Erhard Kemnitz; Sergey I Troyanov

doi:10.1039/b518422c

Preparation, crystallographic characterization and theoretical study of two isomers of C70(CF3)12

Chem Commun (Camb). 2006 Apr 28:(16):1778-80. doi: 10.1039/b518422c. Epub 2006 Mar 17.

Authors

Daria V Ignat'eva¹, Alexey A Goryunkov, Nadezhda B Tamm, Ilya N Ioffe, Stanislav M Avdoshenko, Lev N Sidorov, Anton Dimitrov, Erhard Kemnitz, Sergey I Troyanov

Affiliation

¹ Chemistry Department, Moscow State University, Leninskie Gory, 119992 Moscow, Russia. sergej.troyanov@rz.hu-berlin.de

PMID: 16609802
DOI: 10.1039/b518422c

Abstract

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.