Water in the crystal structure of NaBiO3-based phase: A spectroscopical insight

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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.

In: Materials Chemistry and Physics, Vol. 286, 126156, 01.07.2022.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{f9e380e48185411ab658608813cfc8d6,

title = "Water in the crystal structure of NaBiO3-based phase: A spectroscopical insight",

abstract = "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.",

keywords = "Davydov splitting, Hydrated phase, Infrared spectroscopy, INS, Water molecules vibrations",

author = "Valkovskiy, {G. A.} and Mistonov, {A. A.} and Chudoba, {D. M.} and Baranov, {D. A.} and J. Hetmanczyk and L. Hetmanczyk and Shelyapina, {M. G.} and Tsyganenko, {A. A.}",

note = "Publisher Copyright: {\textcopyright} 2022 Elsevier B.V.",

year = "2022",

month = jul,

day = "1",

doi = "10.1016/j.matchemphys.2022.126156",

language = "English",

volume = "286",

journal = "Materials Chemistry and Physics",

issn = "0254-0584",

publisher = "Elsevier",

}

RIS

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.

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