【摘要】 目的合成新型芳香羧酸三氮唑锌配合物Zn(C₁₀H₅N₃O₅)·H₂O（配合物1）、Zn₂(C₁₀H₅N₃O_4.5)₂·H₂O（配合物2）,并研究其生物活性。方法采用水热法合成,借用紫外可见光谱、荧光光谱、红外光谱、旋光度和X射线单晶衍射对单晶产物进行表征。通过密度泛函理论（DFT）计算配合物的NBO电荷和HOMO轨道。结果与结论运用MTT法,两种配合物呈现一定的细胞毒性与选择性抑制作用。更多还原

【Abstract】 OBJECTIVE ome new aromatic carboxylic triazole zinc（Ⅱ） complexes including Zn(C₁₀H₅N₃O₅)·H₂O（complex 1） and Zn₂(C₁₀H₅N₃O_4.5)₂·H₂O（complex 2） and study its bioactivity.METHODS They was synthesized by hydrothermal synthesis and characterized by IR,UV-Vis,emission spectra and optical activity.The crystal structure of this complex was determined based on single-crystal X-ray diffraction data.By means of density functional theory（DFT） computation,the natural bond orbital（NBO） charges and frontier orbital of this complex were also analyzed.RESULTS AND CONCLUSION Using the determined by MTT method,the studied complexes show moderate cytotoxicity and selective inhibition effect.更多还原