Formation of Water Complexes with Organic Compounds in Solid Matter. IR Manifestation and DFT Study
- 作者: 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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隶属关系:
- Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
- 期: 卷 91, 编号 13 (2017)
- 页面: 2585-2592
- 栏目: 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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详细
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.
作者简介
I. Grinvald
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
编辑信件的主要联系方式.
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
I. Kalagaev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
A. Petuchov
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
I. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
V. Vorotyntsev
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
I. Spirin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
A. Grushevskaya
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950
R. Kapustin
Alekseev Institute of Physical Chemistry and Material Science of Nizhny Novgorod State Technical University
Email: grinwald@mts-nn.ru
俄罗斯联邦, Nizhny Novgorod, 603950