Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Water in the crystal structure of NaBiO3-based phase: A spectroscopical insight. / Valkovskiy, G. A.; Mistonov, A. A.; Chudoba, D. M.; Baranov, D. A.; Hetmanczyk, J.; Hetmanczyk, L.; Shelyapina, M. G.; Tsyganenko, A. A.
в: Materials Chemistry and Physics, Том 286, 126156, 01.07.2022.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Water in the crystal structure of NaBiO3-based phase: A spectroscopical insight
AU - Valkovskiy, G. A.
AU - Mistonov, A. A.
AU - Chudoba, D. M.
AU - Baranov, D. A.
AU - Hetmanczyk, J.
AU - Hetmanczyk, L.
AU - Shelyapina, M. G.
AU - Tsyganenko, A. A.
N1 - Publisher Copyright: © 2022 Elsevier B.V.
PY - 2022/7/1
Y1 - 2022/7/1
N2 - Water embedded in the crystal structure of a solid hydrate may affect the functional properties of the material. A decisive step towards understanding the role of water in the restricted geometry is to unravel the arrangement and dynamics of water molecules. The paper attacks this issue using the example of NaBiO3–based material containing at ambient conditions a mixture of dehydrated NaBiO3 and hydrated NaBiO3⋅nH2O phase, with the latter being predominant. Inelastic neutron scattering and infrared spectroscopy are applied to explore the vibrations of water molecules for the hydrated phase in the initial state and during the release of water upon heating that eventually leads to a complete transformation to the dehydrated phase. The major peaks in the infrared spectra were assigned, particularly with the help of deuteration. Dynamic interaction of structurally equivalent water molecules was revealed from the analysis of water bending modes in infrared and Raman spectra. The change in the conformation of water molecules is discussed, as well as the deformation of matrix bonds during sample dehydration.
AB - Water embedded in the crystal structure of a solid hydrate may affect the functional properties of the material. A decisive step towards understanding the role of water in the restricted geometry is to unravel the arrangement and dynamics of water molecules. The paper attacks this issue using the example of NaBiO3–based material containing at ambient conditions a mixture of dehydrated NaBiO3 and hydrated NaBiO3⋅nH2O phase, with the latter being predominant. Inelastic neutron scattering and infrared spectroscopy are applied to explore the vibrations of water molecules for the hydrated phase in the initial state and during the release of water upon heating that eventually leads to a complete transformation to the dehydrated phase. The major peaks in the infrared spectra were assigned, particularly with the help of deuteration. Dynamic interaction of structurally equivalent water molecules was revealed from the analysis of water bending modes in infrared and Raman spectra. The change in the conformation of water molecules is discussed, as well as the deformation of matrix bonds during sample dehydration.
KW - Davydov splitting
KW - Hydrated phase
KW - Infrared spectroscopy
KW - INS
KW - Water molecules vibrations
UR - http://www.scopus.com/inward/record.url?scp=85129238940&partnerID=8YFLogxK
U2 - 10.1016/j.matchemphys.2022.126156
DO - 10.1016/j.matchemphys.2022.126156
M3 - Article
AN - SCOPUS:85129238940
VL - 286
JO - Materials Chemistry and Physics
JF - Materials Chemistry and Physics
SN - 0254-0584
M1 - 126156
ER -
ID: 96242416