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在室温下,选用具有手性特征的1,2-丙二胺(1,2-propanediamine)为对阳离子,由正四丁基铵十钨酸盐和邻苯二酚反应,得到了钨酶活性结构因子仿生配合物(NH3CH2CHNH2CH3)2[WVIO2(OC6H4O)2],用单晶X射线衍射测定了其晶体结构,晶体属单斜晶系,空间群为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;并对它进行了IR,1HNMR和UV-Vis谱学表征.利用NMR研究了其与三磷酸腺苷(ATP)的相互作用,结果发现手性特征的1,2-丙二胺及邻苯二酚苯环的1H化学位移在与ATP混合前后均呈现出较大的差异,分析得出:配合物中的金属离子在D2O中大多数均以W(V)价态存在,但在与ATP共存时转化为W(VI),并与配体发生了解离.
At room temperature, 1,2-propanediamine with chiral character was selected as the cation to react with n-tetrabutylammonium tungstate and catechol to obtain the active structure of the enzyme The crystal structure of the crystal is monoclinic with the space group of P21 / n, a = 1.1099 (3) nm, and its crystal structure is determined by single crystal X-ray diffraction. b = 1.0416 (3) nm, c = 1.8874 (6) nm, β = 96.492 (6) °, V = 2.1679 (11) nm3, z = 4, R1 = 0.0445 and wR2 = 0.0682. , 1HNMR and UV-Vis spectra were used to characterize the interaction between 1H-NMR and UV-Vis spectra.It was found that the 1H chemical shifts of 1,2-propanediamine and catechol ring with chirality The results showed that most of the metal ions in the complex existed in W (V) valence state, but converted to W (Vl) when coexisting with ATP and Dissociated from the ligand.