American Chemical Society
jz2c02074_si_001.pdf (2.13 MB)

Infrared Spectroscopy on Equilibrated High-Density Amorphous Ice

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journal contribution
posted on 2022-08-18, 19:00 authored by Aigerim Karina, Tobias Eklund, Christina M. Tonauer, Hailong Li, Thomas Loerting, Katrin Amann-Winkel
High-density (HDA) and low-density amorphous ices (LDA) are believed to be counterparts of the high- and low-density liquid phases of water, respectively. In order to better understand how the vibrational modes change during the transition between the two solid states, we present infrared spectroscopy measurements, following the change of the decoupled OD-stretch (vOD) (∼2460 cm–1) and OH-combinational mode (vOH + v2, vOH + 2vR) (∼5000 cm–1). We observe a redshift from HDA to LDA, accompanied with a drastic decrease of the bandwidth. The hydrogen bonds are stronger in LDA, which is caused by a change in the coordination number and number of water molecules interstitial between the first and second hydration shell. The unusually broad uncoupled OD band also clearly distinguishes HDA from other crystalline high-pressure phases, while the shape and position of the in situ prepared LDA are comparable to those of vapor-deposited amorphous ice.