M. Feyzi

Geometry and Electronic Structure of Mono‐, Di‐, and Tri‐Cationic Ionic Liquids

Structures of mono cationic di cationic and tri cationic ionic liquids [M] + , [D] ++ , and [T] +++ with halide anions (X) where X = Cl¯, Br¯, and I¯ were studied using density functional theory (DFT). The most stable geometry of this structures were computed and compared with others. In di‐cationic ionic liq...