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Synthesis, Characterization, Solution Behavior, and Density Functional Theory Analysis of Some Pyridinium‐Based Ionic Liquids
Author(s) -
Tiwari Ashish,
Sahoo Mira,
Soreng Pratima,
Mishra Bijay K.
Publication year - 2018
Publication title -
journal of surfactants and detergents
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.349
H-Index - 48
eISSN - 1558-9293
pISSN - 1097-3958
DOI - 10.1002/jsde.12034
Subject(s) - chemistry , pyridinium , bromide , ionic liquid , dichloromethane , density functional theory , aqueous solution , ionic bonding , pyridinium compounds , ion , inorganic chemistry , computational chemistry , organic chemistry , catalysis , solvent
Some picolinium ionic liquids (IL) [α/γ‐PicC n ][Br/NO 3 ] ( n = 3, 5, 7) were synthesized and characterized by 1 H NMR data. The surface tension and density of all the IL were determined. The aggregation behavior of these IL in aqueous medium and in dichloromethane was assessed from the variation of electrical conductivity in these media. The critical aggregation concentrations of these IL in aqueous medium were found to decrease significantly by the addition of cetyltrimethylammonium bromide. The structural features and the conformation of these IL were further investigated by using density functional theory calculations. The bromide ion was found to be inclined asymmetrically to one side of the pyridinium nucleus, while the nitrogen of the nitrate group lies close to the nitronium ion of the pyridinium nucleus.