New C-70(CF3) (n) isomers (n=12, 14, 16). Realkylation and addend rearrangementsстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:New isomers of trifluoromethyl derivatives of [70]fullerene, C-70(CF3)(12) (one isomer), C-70(CF3)(14) (three isomers), and C-70(CF3)(16) (one isomer) were synthesized, chromatographically isolated, and characterized by single-crystal X-ray analysis. Three of the five new isomers were obtained by annealing a mixture of higher trifluoromethyl derivatives (realkylation*). Trifluoromethylation of two individual C-70(CF3)(12) isomers revealed rearrangements of CF3 groups on the fullerene sphere along with the direct addition to the double bonds. The relative energies of the isomers were calculated using the density functional theory.