Analysis of the heterogeneous dynamics of imidazolium-based [Tf2N–] ionic liquids using molecular simulation was written by Androulaki, Eleni;Vergadou, Niki;Economou, Ioannis G.. And the article was included in Molecular Physics in 2014.Category: imidazoles-derivatives This article mentions the following:
The complex dynamic behavior of the imidazolium-based ionic liquids [Cnmim+][Tf2N–], n = 4, 8, 12 is examined at various temperatures and at atm. pressure using mol. dynamics simulation. An existing all-atom force field is further optimized in order to attain reasonable agreement with exptl. data for transport properties, such as self-diffusivities and viscosities. Dynamical heterogeneity phenomena are quantified through the calculation of the non-Gaussian parameter and the deviation of the self-part of the van Hove correlation function from the expected normal distribution. From this anal., ions that move faster or slower than expected are detected in the system. These subsets of ‘fast’ and ‘slow’ ions form individual clusters consisting of either mobile or immobile ions. Detailed anal. of the ions’ diffusion reveals preferential motion along the direction of the alkyl tail for the cation and along the vector that connects the two sulfur atoms for the anion. For the longest alkyl tails, the heterogeneity in the dynamics becomes more pronounced and is preserved for several nanoseconds, especially at low temperatures In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Category: imidazoles-derivatives).
3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Category: imidazoles-derivatives
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem