Structure information for concentrated heavy metal chloride solutions determined by different methods,such as neutron diffraction [1],EXAFS [2-4] and Monte Carlo [5-7],are usually inconsistent with each other.In this case,a new method has been proposed to recognize the solution structures by combining thin-layer ultraviolet spectroscopy and time-dependent density function theory [8-10].The former enable the ultraviolet measurement on concentrated solution and consequently the electron spectra of assigned species and the latter can give electron spectra of species with fine structures.An example was given on the structure analysis on pure CuCl2 aqueous solution and the mixture of CuCl2+NaCl+H2O.The results obtained in this new method were compared with those determined by other structure methods.