The coordination geometry, the hydration number and the water-exchange reactions of metal ions in solution are of primary importance in interpreting the thermodynamic and kinetic properties.The hydrated light lanthanoid (III) ions were shown to be nine-coordinate in aqueous solution, consistent with a tricapped trigonalprismatic configuration, while the heavy ones were proposed to coordinate eight water molecules in a square antiprism. According to our best knowledge so far there has not been any report about the existence of interactions between -aromatic rings compounds.Here with we want to report a theoretical study on the interaction of [Lu(H2O)9]3+ ion with some derivative of benzene. Calculations were performed using the G09 program. Among the DFT methods : B971, M06, with def2-TZVP basis set is used in this work. Fig. 1 shows the results for the interaction of [Lu(H2O)9]3+ with benzene and it's derivatives including electron donating and electron withdrawing substituents[1-3].
