Synthesis, structural investigation, and theoretical study of pentaf luoroethyl derivatives of [60]fullerene |
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| Authors: | N B Tamm S M Avdoshenko E Kemnitz S I Troyanov |
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| Institution: | (1) Department of Chemistry, M. V. Lomonosov Moscow State University, 1 Leninskie Gory, 119991 Moscow, Russian Federation;(2) Institute of Chemistry, Humboldt University of Berlin, Brook-Taylor Strasse 2, 12489 Berlin, Germany |
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| Abstract: | Pentafluoroethyl derivatives of 60]fullerene C60(C2F5)n (n = 6, 8, and 10) were synthesized by the reaction of C60 with C2F5I in glass ampoules at 380–440 °C. Isomers of composition C60(C2F5)6 (one isomer), C60(C2F5)8 (five isomers), and C60(C2F5)10 (two isomers) were isolated by chromatographic separation. Their molecular structures were established by X-ray diffraction.
The relative stabilities of isomers were compared by density functional theory calculations.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 881–887, May, 2007. |
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| Keywords: | fullerene C60 pentafluoroethyl derivatives X-ray diffraction analysis density functional theory |
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