A study of the structural and spectral characteristics of free and bound water in kaolinite

Publication typeJournal Article
Publication date2016-09-16
scimago Q4
wos Q4
SJR0.145
CiteScore0.9
Impact factor0.9
ISSN0030400X, 15626911
Electronic, Optical and Magnetic Materials
Atomic and Molecular Physics, and Optics
Abstract
The dependence of the Si–O stretching vibration line intensity in the IR spectrum of kaolinite on the humidity of this mineral has been experimentally investigated. The experimental data were interpreted on the basis of density functional theory (DFT) calculations with allowance for the real crystallographic features of the kaolinite sample, determined by structural analysis. Some specific features of the intensity behavior in the plastic state are revealed, which can be used to develop techniques for determining its limits. The differences in the O–H bond lengths and H–O–H angles for the H2O molecules adsorbed by basal surfaces and located in the porous space of the mineral are determined. Based on the DFT data, it was found that bond lengths and bond angles for a water molecule adsorbed on the siloxane surface are systematically smaller than for a water molecule adsorbed on the hydroxyl surface.
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GOST Copy
Kasprzhitskiĭ A. S. et al. A study of the structural and spectral characteristics of free and bound water in kaolinite // Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 2016. Vol. 121. No. 3. pp. 357-363.
GOST all authors (up to 50) Copy
Kasprzhitskiĭ A. S., Lazorenko G. I., Sulavko S. N., Yavna V., Kochur A. G. A study of the structural and spectral characteristics of free and bound water in kaolinite // Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 2016. Vol. 121. No. 3. pp. 357-363.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1134/s0030400x16090113
UR - https://doi.org/10.1134/s0030400x16090113
TI - A study of the structural and spectral characteristics of free and bound water in kaolinite
T2 - Optics and Spectroscopy (English translation of Optika i Spektroskopiya)
AU - Kasprzhitskiĭ, A S
AU - Lazorenko, G I
AU - Sulavko, S N
AU - Yavna, V.A.
AU - Kochur, A G
PY - 2016
DA - 2016/09/16
PB - Pleiades Publishing
SP - 357-363
IS - 3
VL - 121
SN - 0030-400X
SN - 1562-6911
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2016_Kasprzhitskiĭ,
author = {A S Kasprzhitskiĭ and G I Lazorenko and S N Sulavko and V.A. Yavna and A G Kochur},
title = {A study of the structural and spectral characteristics of free and bound water in kaolinite},
journal = {Optics and Spectroscopy (English translation of Optika i Spektroskopiya)},
year = {2016},
volume = {121},
publisher = {Pleiades Publishing},
month = {sep},
url = {https://doi.org/10.1134/s0030400x16090113},
number = {3},
pages = {357--363},
doi = {10.1134/s0030400x16090113}
}
MLA
Cite this
MLA Copy
Kasprzhitskiĭ, A. S., et al. “A study of the structural and spectral characteristics of free and bound water in kaolinite.” Optics and Spectroscopy (English translation of Optika i Spektroskopiya), vol. 121, no. 3, Sep. 2016, pp. 357-363. https://doi.org/10.1134/s0030400x16090113.