Pressure-Induced Diversity of 蟺-Stacking Motifs and Amorphous Polymerization in Pyrrole

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• 作者：Wenbo Li ; Defang Duan ; Xiaoli Huang ; Xilian Jin ; Xue Yang ; Shourui Li ; Shuqing Jiang ; Yanping Huang ; Fangfei Li ; Qiliang Cui ; Qiang Zhou ; Bingbing Liu ; Tian Cui
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：June 12, 2014
• 年：2014
• 卷：118
• 期：23
• 页码：12420-12427
• 全文大小：566K
• 年卷期：v.118,no.23(June 12, 2014)
• ISSN：1932-7455

文摘

The behavior of pyrrole under high pressure has been investigated by in situ high-pressure synchrotron X-ray diffraction (XRD) and Raman scattering up to 34 GPa. A solid-to-solid transition at about 6.2 GPa with a large collapse of volume (40%) from Pnma to P2₁/c has been found after a liquid-to-solid transition at 0.6 GPa, which is caused by the molecular rotational repacking of 蟺-stacking. This new phase P2₁/c plays a central role in the following pressure-induced polymerization due to the formation of a closed dimer, a very important precursor. The threshold of C路路路C distance with steric hindrance in dimer is about 1.62 脜 at 10.2 GPa. After this steric hindrance is overcome, a crystal鈥揳morphous transformation starts at 14.3 GPa. When completely released from 34 GPa, the recovered solid product with single bond is identified by in situ Raman measurement.