Dynamics of Hydration Water in CaCl2 Complexes Full article
Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Output data | Year: 2006, Volume: 419, Number: 1-3, Pages: 111-114 Pages count : 4 DOI: 10.1016/j.cplett.2005.11.069 | ||||||
Tags | Chlorine; Crystallography; Dispersions; Hydration; Hydrogen bonds; Neutron scattering | ||||||
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Abstract:
We report in this Letter the measurement of unusually well-defined vibrational modes of water. Calcium chloride forms complexes made of different amounts of water, namely 1/3, 2 or 4 water per CaCl2 molecule. Based on the crystallographic structure, we performed normal mode calculations from first principles, and simulated the neutron scattering spectra. A very good agreement between calculation and experiment, without any parameter refinement, confirms and completes the intuitive assignment of vibrational excitations of water. A closer look at the calculation enables us to investigate the anharmonicity of the system and the dispersion of the excitations along the hydrogen bonds.
Cite:
Plazanet M.
, Glaznev I.
, Stepanov A.G.
, Aristov Y.I.
, Jobic H.
Dynamics of Hydration Water in CaCl2 Complexes
Chemical Physics Letters. 2006. V.419. N1-3. P.111-114. DOI: 10.1016/j.cplett.2005.11.069 WOS Scopus РИНЦ
Dynamics of Hydration Water in CaCl2 Complexes
Chemical Physics Letters. 2006. V.419. N1-3. P.111-114. DOI: 10.1016/j.cplett.2005.11.069 WOS Scopus РИНЦ
Dates:
Submitted: | Oct 5, 2005 |
Published online: | Dec 9, 2005 |
Published print: | Feb 15, 2006 |
Identifiers:
Web of science | WOS:000235438900022 |
Scopus | 2-s2.0-31544465914 |
Elibrary | 13512942 |
Chemical Abstracts | 2006:110085 |
Chemical Abstracts (print) | 144:320291 |
OpenAlex | W1983887227 |