We study the anisotropic as well as isotropic Raman spectra of isotopically pure and diluted low density amorphous (LDA) and high density amorphous (HDA) ices in the OH stretch region. Our experimental data are well reproduced by theoretical calculation that uses amorphous structures prepared through in silico vitrification of low- and high-density liquids. The excellent agreement between the experiment and theory allows us not only to carry out comprehensive spectral assignment from the viewpoint of vibrational phase and delocalization of the OH stretch but also to confirm the reliability of the MD simulation in which the liquid-liquid phase separation takes place.

Raman spectroscopy of isotopically pure and diluted low- and high-density amorphous ices

ACS Spring 2022

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