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New isomers of trifluoromethylated fullerene: C60(CF3)12 and C60(CF3)14 |
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| Authors: | N. A. Samokhvalova P. A. Khavrel’ A. A. Goryunkov I. N. Ioffe V. L. Karnatsevich L. N. Sidorov E. Kemnitz S. I. Troyanova |
| Affiliation: | 1. Department of Chemistry, M. V. Lomonosov Moscow State University, 1 Leninskie Gory, 119991, Moscow, Russian Federation 2. Fullerene Center, 4 ul. Kostina, 603000, Nizhny Novgorod, Russian Federation 3. Institute of Chemistry, Humboldt University Berlin, 2 Brook-Taylor-Str., 12489, Berlin, Germany |
| Abstract: | HPLC separation of the products of high-temperature reaction of a sublimed mixture of C60–C70 (10: 1) with CF3I in a sealed ampoule allowed isolation and determination of molecular structures (X-ray crystallography and 19F NMR) of two new isomers of C60(CF3)12 and one isomer of C60(CF3)14. These isomers are characterized by low relative formation energies, which suggests that the trifluoromethylation process is basically under the thermodynamic control. |
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