Reactivity of Fluorographene: A Facile Way toward Graphene Derivatives
Reactivity of Fluorographene: A Facile Way toward Graphene Derivatives
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DOI：
10.1021/acs.jpclett.5b00565
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发表时间：
2015-04-16
影响因子：
5.7
通讯作者：
Otyepka, Michal
中科院分区：
文献类型：
--
作者：
Dubecky, Matus;Otyepkova, Eva;Otyepka, Michal
氟石墨烯（FG）是一种具有广阔应用潜力的二维石墨烯衍生物；然而，其反应性尚不清楚。我们系统地探索了它在真空和极地环境中的反应性。同裂和异裂的 C-F 键解离能高于 100 kcal/mol，但 S(N)2 取代的势垒明显较低。例如，实验确定的 FG 与丙酮中的 NaOH 反应的活化能垒等于 14 +/- 5 kcal/mol。 FG 相当大的反应活性表明它是合成石墨烯衍生物的可行前体，不能被视为特氟龙的化学对应物。
Fluorographene (FG) is a two-dimensional graphene derivative with promising application potential; however, its reactivity is not understood. We have systematically explored its reactivity in vacuum and polar environments. The C-F bond dissociation energies for homo- and heterolytic cleavage are above 100 kcal/mol, but the barrier of S(N)2 substitution is significantly lower. For example, the experimentally determined activation barrier of the FG reaction with NaOH in acetone equals 14 +/- 5 kcal/mol. The considerable reactivity of FG indicates that it is a viable precursor for the synthesis of graphene derivatives and cannot be regarded as a chemical counterpart of Teflon.