The structural properties of liquid 1-butyl-3-methylimidazolium iodide [C4mim] I have been
investigated using an integrated approach that combines EXAFS spectroscopy and …

A thorough characterization of the structural properties of alkylimidazolium halide ionic
liquids (ILs), namely 1-alkyl-3-methylimidazolium bromide ([Cnmim] Br with n= 5, 6, 8, 10) …

Description of the local microscopic structure in ionic liquids (ILs) is a prerequisite to obtain a
comprehensive understanding of the influence of the nature of ions on the properties of ILs …

Ab initio molecular dynamics (AIMD) and classical molecular dynamics (MD) simulations of
the room temperature ionic liquid (RTIL), 1, 3-dimethylimidazolium chloride, were performed …

We present a comprehensive molecular dynamics simulation study on 1-butyl-3-
methylimidazolium ionic liquids and their fluorinated analogs. The work focused on the effect …

Methylation of the C2 position of 1, 3-dialkylimidazolium based ionic liquids disrupts the
predominant hydrogen-bonding interaction between cation and anion leading to …

The conformational isomerism of the 1-n-butyl-3-methylimidazolium cation,[C4mim]+, in
halide-based ionic liquids[C4mim] Cl,[C4mim] Br, and [C4mim] I was explored by Raman …

Ab initio Car-Parinnello molecular dynamics is used to simulate the structure and the
dynamics of 1-butyl-3-methylimidazolium iodide ([bmim] I) ionic liquid at 300 K⁠. Site-site …

Extended X-ray absorption fine structure (EXAFS) spectroscopy is employed, in conjunction
with molecular dynamics (MD) simulations, to investigate the interaction of water with the Br …

X-ray diffraction data for 1-alkyl-3-methylimidazolium bis {(trifluoromethyl) sulfonyl} amides
are reported as a function of the length of the alkyl chain on the imidazolium ring. The …