Formation of Water Complexes with Organic Compounds in Solid Matter. IR Manifestation and DFT Study
- Authors: Grinvald I.I.1, Kalagaev I.Y.1, Petuchov A.N.1, Vorotyntsev I.V.1, Vorotyntsev V.M.1, Spirin I.A.1, Grushevskaya A.I.1, Kapustin R.V.1
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Affiliations:
- Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
- Issue: Vol 91, No 13 (2017)
- Pages: 2585-2592
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169832
- DOI: https://doi.org/10.1134/S0036024417130106
- ID: 169832
Cite item
Abstract
In terms of FTIR study it was estimated that water forms the complexes with furan, thiophene, dichloromethane, tribromomethane in low temperature films at 90–150 K interval and with benzene in KBr matrix at ambient temperature. The mechanism of intermolecular interaction was simulated by ab initio calculation using DFT method. It was shown that complex formation occurs due to arising of hydrogen bond between hydronium ion of water cluster or single water molecule with organic components.
Keywords
About the authors
I. I. Grinvald
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Author for correspondence.
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
I. Yu. Kalagaev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
A. N. Petuchov
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
I. V. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
V. M. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
I. A. Spirin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
A. I. Grushevskaya
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950
R. V. Kapustin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Russian Federation, Nizhny Novgorod, 603950