We designed a coarse-grained model for aromatic ionic liquids [CnMIM [Tf2N −] with cations containing different alkyl groups. Within the framework of correlation-corrected density functional theory, the interfacial structure of studied ionic liquids are compared over a range of surface charge densities, alkyl chain lengths and surface geometries. The nonpolar hydrocarbon chains on cation tend t...

Current research on room-temperature ionic liquids as lubricants is described. Ionic liquids possess excellent properties such as non-volatility, non-flammability, and thermo-oxidative stability. The potential use of ionic liquids as lubricants was first proposed in 2001 and approximately 70 articles pertaining to fundamental research on ionic liquids have been published through May 2009. A lar...

The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalko...

Ionic liquid surfaces can become electrically charged during X-ray photoelectron spectroscopy experiments, due to the flux of photoelectrons leaving the surface. This causes a shift in the measured binding energies of X-ray photoelectron peaks that depends on the magnitude of the surface charging. Consequently, a charge correction method is required for ionic liquids. Here we demonstrate the na...

ionic liquids such as 1,3-dialkylimidazolium salts make excellent catalysts and solvents for synthesis of dialkyl 2-(dialkoxyphosphoryl)-3-(1-oxo-1-h-phthalazin-2-yl)succinates from 2h-phthalazin-1-one, dialkyl acetylenedicarboxylates, and trialkyl phosphites. under similar conditions, triphenyl phosphite led to dialkyl 2-(diphenoxyphosphoryl)-3-(1-oxo-1-h-phthalazin-2-yl)succinates. the ionic ...

Ionic liquids have attracted a large amount of interest in the past few years. One approach to better understand their peculiar nature and characteristics is through the analysis of their surface properties. Some research has provided novel information on the organization of pure ionic liquids at the vapor-liquid interface; yet, a systematic study on the surface properties of mixtures of ionic ...

Room temperature ionic liquids (ILs), especially protic ionic liquids (PILs), are used in many areas of the chemical sciences. Ionicity, the extent of proton transfer, is a key parameter which determines many physicochemical properties and in turn the suitability of PILs for various applications. The spectrum of computational chemistry techniques applied to investigate ionic liquids includes cl...

Ionic liquids exhibit a remarkably diverse interfacial chemistry. Recent theoretical and experimental results show that conventional double layers do not form on metal electrodes in ionic liquid systems, rather a multilayer morphology is present. The number of layers and the strength of adsorption are strongly dependent on ionic liquid chemical species, solutes and applied electrode potential. ...

Investigation of the local dynamic behavior of atoms and molecules in liquids is crucial for revealing the origin of macroscopic liquid properties. Therefore, direct imaging of single atoms to understand their motions in liquids is desirable. Ionic liquids have been studied for various applications, in which they are used as electrolytes or solvents. However, atomic-scale diffusion and relaxati...