石墨烯
六氟苯
化学
共晶
苯
晶体结构
聚合
结晶学
光化学
聚合物
有机化学
计算化学
密度泛函理论
分子
氢键
作者
Yajie Wang,Xiao Dong,Xingyu Tang,Haiyan Zheng,Kuo Li,Xiaohuan Lin,Leiming Fang,Guang Sun,Xiping Chen,Lei Xie,Craig L. Bull,Nicholas P. Funnell,Takanori Hattori,Asami Sano‐Furukawa,Jihua Chen,Dale K. Hensley,George D. Cody,Yang Ren,Hyun Hwi Lee,Ho‐kwang Mao
标识
DOI:10.1002/ange.201813120
摘要
Abstract Pressure‐induced polymerization (PIP) of aromatics is a novel method for constructing sp 3 ‐carbon frameworks, and nanothreads with diamond‐like structures were synthesized by compressing benzene and its derivatives. Here by compressing a benzene‐hexafluorobenzene cocrystal (CHCF), H‐F‐substituted graphane with a layered structure in the PIP product was identified. Based on the crystal structure determined from the in situ neutron diffraction and the intermediate products identified by gas chromatography‐mass spectrum, we found that at 20 GPa CHCF forms tilted columns with benzene and hexafluorobenzene stacked alternatively, and leads to a [4+2] polymer, which then transforms to short‐range ordered H‐F‐substituted graphane. The reaction process involves [4+2] Diels–Alder, retro‐Diels–Alder, and 1‐1′ coupling reactions, and the former is the key reaction in the PIP. These studies confirm the elemental reactions of PIP of CHCF for the first time, and provide insight into the PIP of aromatics.
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