高压下的原子和分子行为

近些年,高压化学的研究取得了非常多的成果。本文从基础化学原理出发,讨论高压对原子轨道能量和化学键的影响。高压下,原子轨道能量会发生改变,从而导致核外电子在轨道间的重新排布,影响到元素的化学性质。于分子而言,高压下分子晶体会发生相变,不饱和化合物会发生自聚,饱和化合物则有可能金属化。

Pressure-Induced Behavior of Atoms and Molecules

In recent years, a large number of new materials and novel phenomena have been discovered and predicted at high-pressure. In this paper, the effects of high pressure on atomic orbital energy and chemical bonds are discussed based on basic chemical principles. Under high pressure, the energy of atomic orbitals changes, which causes the rearrangement of the electrons, and affects the chemical properties of the elements. In the case of molecules, molecular crystals undergo phase transitions under high pressure, unsaturated compounds undergo self-polymerization, and saturated compounds may be metallized.