Formation of Water Complexes with Organic Compounds in Solid Matter. IR Manifestation and DFT Study
- Авторы: Grinvald I.1, Kalagaev I.1, Petuchov A.1, Vorotyntsev I.1, Vorotyntsev V.1, Spirin I.1, Grushevskaya A.1, Kapustin R.1
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Учреждения:
- Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
- Выпуск: Том 91, № 13 (2017)
- Страницы: 2585-2592
- Раздел: 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
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Аннотация
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.
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Об авторах
I. Grinvald
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Автор, ответственный за переписку.
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
I. Kalagaev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
A. Petuchov
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
I. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
V. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
I. Spirin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
A. Grushevskaya
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950
R. Kapustin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
Россия, Nizhny Novgorod, 603950