We have carried out an ab initio molecular dynamics study on the sulfur dioxide (SO2) solvation in 1-ethyl-3-methylimidazolium thiocyanate for which we have observed that both cations and anions play an essential role in the solvation of SO2. Whereas, the anions tend to form a thiocyanate- and much less often an isothiocyanate-SO2 adduct, the cations create a "cage" around SO2 with those groups...

the brønsted acidic ionic liquid ([bmim]hso4) catalyzed three-component synthesis of 2h-indazolo[2,1-b]phthalazine-trione derivatives at room temperature. the integrity of the ionic liquid remains reasonably unchanged when it is separated from the reaction mixture by water extraction, as it can be recycled several times without any loss of activity in each of the title syntheses. the products a...

Pyridinium based ionic liquids derived from β-picoline and n-alkylbromides were synthesized by a simple procedure at ambient temperature and then characterized. These neutral ionic liquids were investigated for their dual role as the solvent and promoter for the selective synthesis of a series of N-monomethylanilines using dimethylcarbonate as the methylating agent. A solvent free gree...

The structure of anhydrous nickel, niobium and tantalum metal chlorides in ionic liquids IL) is important in the development of new electrochemical alloy deposition techniques. In order to understand the interactions of these metal ions with ionic liquids, we have investigated their structures in situ with X-ray Absorption Spectroscopy (XAS). The ionic liquid used in this study is 1-methyl-3-et...

ethylammonium propionate with high polarity and ionic conductivity was synthesized andcharacterized with 1hnmr and ir. this ionic liquid which is prepared from readily available startingmaterial in high yield shows reasonably high at viscosity and heat stability up to 150 °c. this ionicliquid is able to dissolve most of organic solvents due to the hydrogen interaction between ionicliquid and th...

The reliability of four force fields developed for 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids are compared to an ab inito molecular dynamics simulation regarding structural properties. Except the hydrogen bond structure between the most acidic hydrogen atom of the imidazolium ring and the nitrogen atom of the anion as well as the intramolecular potential surface...

A novel CMPO (carbamoylmethylphosphine oxide) based task specific ionic liquid (TSIL) with an NTf(2)(-) counter anion was synthesized and evaluated for actinide/lanthanide extraction from acidic feed solutions using several room temperature ionic liquids (RTILs). The extraction data were compared with those obtained with CMPO in the same set of RTILs and also in the molecular diluent, n-dodecan...