Dynamics of Hydration Water in CaCl2 Complexes Научная публикация
Журнал |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Вых. Данные | Год: 2006, Том: 419, Номер: 1-3, Страницы: 111-114 Страниц : 4 DOI: 10.1016/j.cplett.2005.11.069 | ||||||
Ключевые слова | Chlorine; Crystallography; Dispersions; Hydration; Hydrogen bonds; Neutron scattering | ||||||
Авторы |
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Организации |
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Реферат:
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.
Библиографическая ссылка:
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
Даты:
Поступила в редакцию: | 5 окт. 2005 г. |
Опубликована online: | 9 дек. 2005 г. |
Опубликована в печати: | 15 февр. 2006 г. |
Идентификаторы БД:
Web of science | WOS:000235438900022 |
Scopus | 2-s2.0-31544465914 |
РИНЦ | 13512942 |
Chemical Abstracts | 2006:110085 |
Chemical Abstracts (print) | 144:320291 |
OpenAlex | W1983887227 |