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    Terahertz Signatures of Hydrate Formation in Alkali Halide Solutions.

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    Authors
    Chen, Ligang
    Ren, Guanhua
    Liu, Liyuan; orcid: 0000-0002-7050-3792
    Guo, Pan
    Wang, Endong
    Zhou, Lu
    Zhu, Zhongjie
    Zhang, Jianbing
    Yang, Bin
    Zhang, Wentao
    Li, Yanfeng; orcid: 0000-0002-7966-8219
    Zhang, Weili
    Gao, Yi
    Zhao, Hongwei
    Han, Jiaguang
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    Publication Date
    2020-08-18
    
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    Abstract
    We 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.
    Citation
    The journal of physical chemistry letters, page 7146-7152
    URI
    http://hdl.handle.net/10034/623749
    Type
    article
    Description
    From PubMed via Jisc Publications Router
    Publication status: aheadofprint
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