Three new compounds of Hg(II) have been synthesized, [Hg(quinoxaline)2(NO2)2] (1), [Hg3(µ-quinoxaline)2(µ-SCN)6]n (2) and [Hg(µ-quinoxaline)(µ-CN)2]n (3) through the reaction between quinoxaline ligand and mercury(II) salts which have then been analyzed using IR spectroscopy and thermal gravimetric (TGA) analysis. Furthermore, these compounds have also been characterized using single-crystal X-ray crystallography. The single-crystal X-ray data of the compound 1 shows the complex to be a monomer of mercury(II). The structural studies of compounds 2 and 3 show that these structures are two- and three-dimensional coordination polymers of mercury(II). Under mild reaction conditions, the mentioned compounds exhibited high efficiency and reusability in desulfurization removal of model oil which was prepared by dissolving dibenzothiophene in n-hexane. Furthermore, the DBT removal in the solution obeys first order reaction kinetics and the activation energy of adsorption process was found to be 16.57 kJ /mol. Finally, solid state crystal to crystal transformation of these compounds was investigated.