分子体系的高压化学反应

在高压(一万到百万大气压)下物质的组成、结构、化学反应都可以发生前所未知的巨大变化。运用高压合成目标产物,表征高压下的物质结构与反应过程是高压化学研究的主要问题。一般而言,高压下不饱和化合物倾向于聚合形成高密度饱和共价键体系;反应中分子与原子扩散严重受限,常形成亚稳态化合物;反应物的空间晶体结构、官能团性质、反应体系的温度、静水压效果都对反应有显著影响。对高压下分子化学反应的研究需要综合运用晶体学、谱学、化学等实验手段和热力学、动力学等方面的理论计算相互验证,进而建立理论,深入极端条件化学的星辰大海。

Chemical reactions of Molecules under High Pressure

Under high pressure (1-100 GPa and above), the composition, structure and chemical reaction of matters change significantly, and it is of great significance to understand the chemical reactions under high pressure. In general, molecules solidify under external pressure, unsaturated molecules tend to polymerize to form covalently bonded saturated material with higher density; diffusions of molecules and atoms are significantly restricted, and metastable compounds are often generated; the crystal structure of the reactants, the properties of the functional groups, the temperature and hydrostaticity has significant effects on the reaction. In situ and ex situ crystallography, spectroscopy, chemical characterization, and theoretical calculations are important for the study of the reaction process and every effort on the synthesis, characterization, theoretical calculation under high pressure is a new step towards the interesting world under extreme condition.