Cu(Ⅰ)Y zeolites was prepared with liquid phase ion exchange under the condition of N2 at high temperature．The desulfurization of different sulfur compounds was studied on the Cu(Ⅰ)Y zeolites in a fixed bed adsorber at ambient temperature and pressure and a SCD GC . The results show that the performance of the compounds decreases as follows: benzothiophene (BT) >dibenzothiophene(DBT) >4,6-dimethyldibenzothiophene (4,6-DMDBT) >thiophene (TP) . For the same purpose the adsorption was also calculated in terms of density functional theory (DFT) . The results show the adsorption energies of the thiophenic compounds as follows: benzothiophen (BT) -96.4 kJ/mol, dibenzothiophene (DBT) -88.5 kJ/mol, thiophene (TP) -111.5 kJ/mol, 4,6-dimethyldibenzothiophene (4,6-DMDBT) -83.7 kJ/mol. The results agree with the experiments.