A theoretical investigation of the interactions between water molecules and ionic liquids

Quantum chemical calculations were used to investigate the interaction between water molecules and ionic liquids based on the imidazolium cation with anions [Cl.sup.-], [Br.sup.-] and B[F.sub.4.sup.-]. The water molecules interact with anions to form [X.sup.-]...W, 2[X.sup.-]...2W, B[F.sub.4.sup.-]...W (X=Cl or Br, W=water) complexes and the strength of the interactions follow the trend anion-W>cation-W>ion pair -W.