Ab Initio Study on Structure and Charge of Imidazolium Based Ionic liquids Catalysts with Organic and Inorganic Anions

In this paper some ionic liquids as catalyst and solvent have been Studied theoreticaly. All calculations have been performed by using Gaussian 09 using B3LYP and HF methods in, conjunction with 6-31+G* and 6-3ll++G** basis sets. Electric field on the some of ionic liquid. Electric field on the some of ionic liquid. Atomic charges and dipole moment and binding menergies of ionic liquid compounds have been considered Relationship between dipole moment and melting point are also studied.

Keywords:

Ionic Liquids , Density Functional Theory , Binding Energy