Effect of the Cation on the Interactions between Alkyl Methyl Imidazolium Chloride Ionic Liquids and Water was written by Khan, Imran;Taha, Mohamed;Ribeiro-Claro, Paulo;Pinho, Simao P.;Coutinho, Joao A. P.. And the article was included in Journal of Physical Chemistry B in 2014.COA of Formula: C4H7ClN2 This article mentions the following:
A systematic study of the interactions between water and alkyl Me imidazolium chloride ionic liquids at 298.2 K, based on activity coefficients estimated from water activity measurements in the entire solubility range, is presented. The results show that the activity coefficients of water in the studied ILs are controlled by the hydrophilicity of the cation and the cation-anion interaction. To achieve a deeper understanding on the interactions between water and the ILs, COSMO-RS and FTIR spectroscopy were also applied. COSMO-RS was used to predict the activity coefficient of water in the studied ionic liquids along with the excess enthalpies, suggesting the formation of complexes between three mols. of water and one IL mol. On the basis of quantum-chem. calculations, it is found that cation-anion interaction plays an important role upon the ability of the IL anion to interact with water. The changes in the peak positions/band areas of OH vibrational modes of water as a function of IL concentration were investigated, and the impact of the cation on the hydrogen-bonding network of water is identified and discussed. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3COA of Formula: C4H7ClN2).
1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.COA of Formula: C4H7ClN2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem