The quantum-chemical modeling of the synthesis process chemistry of ZnS and ZnSe in aqueos solutions was carried out.For modeling the simulation of ZnS synthesis was made through the formation of Zn(II) complex forms with the trisodium citrate, sodium hydroxide and the pair of ammonium hydroxide with hydrazine hydrate. For the synthesis of ZnSe was used only sodium hydroxide.It was established that this process passes through several intermediate stages with the transitional reactive complexes formation. On the basis of obtained data, the energy stages diagrams are constructed and the comparison of ZnS and ZnSe synthesis processes with various complexing agents is presented.The ZnS and ZnSe filmswere obtained by chemical synthesis method from an aqueous solution of zinc salt, complexing and chalcogenizing agents. X-ray phase analysis confirmed the formation of desired compounds, as well as the formation of ZnO in the case of ammonium hydroxide – hydrazine hydrate usage at the synthesis of ZnS films.
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