Interactions in aqueous solutions of imidazolium chloride ionic liquids [Cnmim][Cl] (n=0, 1, 2, 4, 6, 8) from volumetric properties, viscosity B-coefficients and molecular dynamics simulations was written by Tomas, Renato;Tot, Aleksandar;Kuhar, Jure;Bester-Rogac, Marija. And the article was included in Journal of Molecular Liquids in 2018.Product Details of 35487-17-3 This article mentions the following:
In this work a systematic study of aqueous diluted solutions (~0.005 < m/mol/kg < ~0.1) of six imidazolium based ionic liquids (IL) [Cnmim][Cl] with different alkyl chain lengths (n=0, 1, 2, 4, 6, 8) was carried out. Densities and viscosities were measured as a function of IL concentration in the temperature range between 278.15K and 313.15K in steps of 5K. From exptl. data, apparent molar volumes, standard partial molar volumes, and viscosity B-coefficients of ILs were derived. The effect of the alkyl chain length on the estimated properties was discussed in terms of ion-ion and ion-solvent interactions. It turned out that the studied cations with longer alkyl side chain (n=4, 6, 8) can be regarded as structure makers; cations with shortest side chain (n=0, 1) as structure breakers, whereas [C2mim]+ can be considered as a border line ion. In order to obtain more information about interactions and influence of studied ILs on water structure, computational simulations were performed. For this purpose, DFT calculations using B3LYP-D3 functional and mol. dynamic simulations with OPLS 2005 force field, were applied. Obtained results show that the increase in length of alkyl substituent in imidazolium ring leads to weakening of interactions with water mols. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Product Details of 35487-17-3).
1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Product Details of 35487-17-3
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem