Thermodynamic Characteristics of Ionic Liquids Derived from Bromide Salts of 1,3-Dialkylbenzimidazole

The results of quantum-chemical calculations of the structure and energy of the hydrophobic ionic liquids derivatives of symmetric 1,3-dialkylbenzimidazole bromide salts using the hybrid functional B3LYP are reported. Natural bond orbital analysis has been used to evaluate the hydrogen bonds paramet...

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Bibliographic Details
Published in:Russian journal of inorganic chemistry 2020-05, Vol.65 (5), p.703-710
Main Authors: Chervonova, U. V., Krestianinov, M. A., Frolova, T. V., Gruzdev, M. S.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Hydrogen bonds
Inorganic Chemistry
Ionic liquids
Ions
Mathematical analysis
Quantum chemistry
Solvents
Thermodynamics of Inorganic Compounds
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Summary:The results of quantum-chemical calculations of the structure and energy of the hydrophobic ionic liquids derivatives of symmetric 1,3-dialkylbenzimidazole bromide salts using the hybrid functional B3LYP are reported. Natural bond orbital analysis has been used to evaluate the hydrogen bonds parameters. Heat capacity of the substances and their phase behavior were determined by DSC.
ISSN:0036-0236
1531-8613
DOI:10.1134/S003602362005006X