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Theoretical Study of Isomerization Mechanisms in Fluorinated Fullerene Derivatives

机译:氟化富勒烯衍生物的异构化机理的理论研究

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摘要

Various candidate processes that can effect rearrangement of the shell of addends are being discussed forC_(60)F_x and C_(60)(CF_3)_ycompounds. It is shown that isomerization of fluorofullerenes is catalyzed by other fullerenemolecules or organic donors, while in trifluoromethylated fullerenes such catalysis is inefficient. Theseobservations afford an explanation for important differences between fluorides and CF_3derivatives of C_(60)indistribution of products of their high-temperature syntheses.
机译:正在讨论可影响C_(60)F_x和C_(60)(CF_3)_ycompounds的各种候选过程,这些过程可能影响加成壳的重排。已表明氟富勒烯的异构化是由其他富勒烯分子或有机供体催化的,而在三氟甲基化富勒烯中,这种催化是无效的。这些观察结果解释了氟化物和C_(60)的CF_3衍生物在高温合成产物分布方面的重要区别。

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