臭化水素と硫化水素における圧力誘起構造相転移と固相反応

Pressure-induced structural phase transitions and solid-state reactions in hydrogen bromide and hydrogen sulfide

池田 隆司

Ikeda, Takashi

水素結合系結晶の臭化水素及び硫化水素は、加圧することにより化学結合状態が著しく変化し、秩序-無秩序転移,水素結合対称化,固相反応を伴う分子解離などのさまざまな現象を示す。本稿では高圧実験と第一原理分子動力学シミュレーションより明らかになった臭化水素と硫化水素における圧力誘起構造相転移と固相反応の関係について解説する。

Applying pressure to hydrogen-bonded crystals hydrogen bromide and hydrogen sulfide alters significantly the bonding nature and induces various kinds of phenomena: order-disorder transition, hydrogen-bond symmetrization, and molecular dissociation accompanied by the solid-state reactions. This article reviews the relationship between pressure-induced structural phase transitions and solid-state reactions, revealed from the cooperative works between high pressure experiments and the ab initio molecular dynamics simulations.