Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C60. Molecular structures of C60F18(CF3)6 and C60F16(CF3)6статья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:A series of novel mixed C(60)F(n)(CF(3))m compounds has been produced by trifluoromethylation of C(60)F(18) with CF(3)I in ampoules at 380-420 degrees C. Two of these compounds, C(60)F(18)(CF(3))(6) and C(60)F(16)(CF(3))(6), have been characterized by X-ray crystallography, which has revealed addition of six CF3 groups to the C(3v)-C(60)F(18) for the former and replacement/elimination of two outermost F atoms in the latter. Quantum chemical calculations have been employed to predict the most stable possible isomers of C(60)F(16/18)(CF(3))(6) in order to rationalize the experimental results.