IR manifestation of water intermediates formation with sodium hydroxide and sodium salts in KBr matrix

Гринвальд, И. И.; Воротынцев, В. М.; Воротынцев, И. В.; Kalagaev, I. Yu.; Vorotyntsev, Andrey V.; Salkina, S. V.; Petukhov, Anton N.; Spirin, I. A.; Grushevskaya, A. I.

doi:10.1134/s0036024415130166

Cited by 4 publications

(2 citation statements)

References 38 publications

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“…A short time ago we have presented the method, allowing to fix and stabilize similar intermediates in solid phase . In such a way different types of water complexes, which could not be observed by the other technique, were revealed and examined by IR spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

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Water Complexes of Ionic Liquids: 1‐Butyl‐3‐methyl Imidazolium Chloride and Tetrafluoroborate Systems in KBr Matrix.

et al. 2017

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In the present work the formation of water complexes with ionic liquids (ILs) -1-butyl-3-methylimidazolium chloride [bmim][Cl] and 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF 4 ] in KBr matrix at ambient temperature by IR technique was studied. There was shown that between the components of the system the hydrogen bond, in which the heteroaromatic fragment and anion (Cl À or BF 4 À ) can participate, arises. The ab initio calculation in terms of DFT predicts a possibility of an interaction between the hydrogen atoms of CH bond in heteroaromatic ring and CH 3 -group with oxygen atom as well as between anion (Cl À or BF 4 À ) with hydrogen atom of water molecule.

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Section: Introductionmentioning

confidence: 99%

“…In such a way different types of water complexes, which could not be observed by the other technique, were revealed and examined by IR spectroscopy. It was shown that both single water molecules and the mobile hydrogen atom of water clusters can participate in the coordination mechanism …”

Section: Introductionmentioning

confidence: 99%

Water Complexes of Ionic Liquids: 1‐Butyl‐3‐methyl Imidazolium Chloride and Tetrafluoroborate Systems in KBr Matrix.

et al. 2017

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Molecular Interactions and Structural Transformations in Water Complexes with Azoles in Solid Films: IR and DFT Study

Kapustin,

Grinvald,

Agrba

et al. 2024

ChemistrySelect

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Azoles are widely used as bioactive substances, herbicides, catalysts, corrosion inhibitors, polymeric compositors, organometallic ligands, and optical elements’ components. The interaction with water plays a crucial role in many applications of azoles. The objective of this study is to observe the molecular interaction and structural transformations of 1,2‐ and 1,3‐diazoles’, 1,2,3‐ and 1,2,4‐triazoles’ complexes with water molecules. We have selected the most valuable for application and theoretical interest azoles with different molecular structures, which have allowed us to consider the basic features of their aqueous complexes. We used the IR study method allowing to fix water intermediates in the solid phase. We have also employed the hybrid B3LYP functional DFT method with GD3BJ dispersion correction. At the cluster formation, the hydrogen atom transfer arises, providing a labile spatial arrangement of the water system. The formation of azoles’ complexes with a hydronium ion having relatively low binding energy allows the reshaping of the complexes’ structure at the hydrogen atom cluster‐to‐cluster transition. The complex formation is accompanied by the hydrogen atom transfer with the participation of both water and azole hydrogen atoms. This transfer provides the mobile spatial arrangement of clusters and hydrogen atom transition from donor to acceptor centers.

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Degradation of diuron in water by electrochemical advanced oxidation in a microreactor: effects of anion contamination on degradation and toxicity

Bumroongsakulsawat

Khongthon

Pavarajarn

2020

Journal of Environmental Chemical Engineering

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IR manifestation of water intermediates formation with sodium hydroxide and sodium salts in KBr matrix

Cited by 4 publications

References 38 publications

Water Complexes of Ionic Liquids: 1‐Butyl‐3‐methyl Imidazolium Chloride and Tetrafluoroborate Systems in KBr Matrix.

Water Complexes of Ionic Liquids: 1‐Butyl‐3‐methyl Imidazolium Chloride and Tetrafluoroborate Systems in KBr Matrix.

Molecular Interactions and Structural Transformations in Water Complexes with Azoles in Solid Films: IR and DFT Study

Degradation of diuron in water by electrochemical advanced oxidation in a microreactor: effects of anion contamination on degradation and toxicity

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