Terahertz Signatures of Hydrate Formation in Alkali Halide Solutions
AffiliationUniversity of Chester
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AbstractWe systematically studied the ability of 20 alkali halides to form solid hydrates in the frozen state from their aqueous solutions by terahertz time-domain spectroscopy combined with density functional theory (DFT) calculations. We experimentally observed the rise of new terahertz absorption peaks in the spectral range of 0.3-3.5 THz in frozen alkali halide solutions. The DFT calculations prove that the rise of observed new peaks in solutions containing Li+, Na+ or F‾ ions indicates the formation of salt hydrates, while that in other alkali halide solutions is caused by the splitting phonon modes of the imperfectly crystallized salts in ice. As a simple empirical rule, the correlation between the terahertz signatures and the ability of 20 alkali halides to form a hydrate has been established.
CitationL.Chen, G.Ren, L.Liu, P.Guo, E.Wang, L.Zhou, Z.Zhu, J.Zhang, B.Yang, W.Zhang, Y.Li, W.Zhang, Y.Gao, H.Zhao, J.Han (2020). Terahertz Signatures of Hydrate Formation in Alkali Halide Solutions. Journal of Physical Chemistry Letters, 11(17), 7146-7152.
DescriptionThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.0c02046.
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