Stability of Hydrogen-Bonded Supramolecular Architecture under High Pressure Conditions: Pressure-Induced Amorphization in Melamine−Boric Acid Adduct

作者：Kai Wang, Defang Duan, Run Wang, Aolei Lin, Qiliang Cui, Bingbing Liu, Tian Cui, Bo Zou, Xi Zhang, Jingzhú Hu, Guangtian Zou, Ho‐kwang Mao · 发表于：Langmuir · 年份：2009 · DOI：10.1021/la804034y · 被引用次数：64 · 研究领域：High-pressure geophysics and materials、Crystallography and molecular interactions、Energetic Materials and Combustion

The effects of high pressure on the structural stability of the melamine-boric acid adduct (C3N6H(6).2H3BO3, M.2B), a three-dimensional hydrogen-bonded supramolecular architecture, were studied by in situ synchrotron X-ray diffraction (XRD) and Raman spectroscopy. M.2B exhibited a high compressibility and a strong anisotropic compression, which can be explained by the layerlike crystal packing. Furthermore, evolution of XRD patterns and Raman spectra indicated that the M.2B crystal undergoes a reversible pressure-induced amorphization (PIA) at 18 GPa. The mechanism for the PIA was attributed to the competition between close packing and long-range order. Ab initio calculations were also performed to account for the behavior of hydrogen bonding under high pressure.