超臨界水の振動スペクトルに対する回転運動の影響：密度効果および水素の同位体効果による解析

抄録

In this article, we review the recent advances made in our group in the analysis of the line shape of the vibrational spectra in supercritical water. The vibrational dynamics of water in supercritical states has been examined by means of the classical MD simulation by paying particular attention to the relation to the rotational dynamics. Through the analysis of the effects of the water density and the isotopes of hydrogen, we revealed that the rotational couplings are the dominant determining factors of the line shape of the O-H vibrational spectrum in supercritical water.