Comparative study of interactions between thiophene\pyridine\benzene\heptane and 1-butyl-3-methylimidazolium trifluoromethanesulfonate by density functional theory

► The O···H bonds are formed between cation and anion. ► Molecule adsorption did not change dominant interactions of cation-anion pair. ► Preferential adsorption of thiophene and pyridine on [BMIM][OTf] is proposed.