Cis-dioxo-catecholatotungsten (VI) complex (NH3CH2CHNH2CH3)2[WVIO2(OC6H4O)2] is obtained with chiral protonated 1,2-propanediamine by the reaction of tetrabutyl ammonium decatungstate with catechol in the mixed solvent of CH3OH, CH3CN at room temperature. The crystal structure of complex was determined by X-ray diffraction structural analysis. The results show that complex belongs to monoclinic system with space group P21/n, a＝1.1099(3) nm, b＝1.0416(3) nm, c＝1.8874(6) nm, β＝96.492(6)°, V＝2.1679(11) nm3, z＝4, R1＝0.0445, wR2＝0.0682; and studied by IR, 1H NMR and UV-Vis. The NMR studies on the interaction of the title complex with adenosine-triphosphate (ATP) reveal that 1H chemical shifts of 1,2-propanediamine and catechol with and without ATP exhibit distinct difference, the reduction of W(VI) to W(V) occurs when the title complex is dissolved in D2O and the W(V) is oxidized again when ATP solution is mixed with original solution and the hydrolysis of the catecholato ligand take places at mean time being monitored by 1H NMR.

Key words: biomimetic complex of the cofactor of tungstoenzyme, crystal structure, ATP, 1H NMR