论文部分内容阅读
应用Huckel分子轨道法计算了15种三羟基荧光酮试剂分子的π电荷密度分布,确定了三羟基荧光酮分子中3个羟基离解的顺序、金属离子的配合位置和螯合物的结构。进一步讨论了取代基和反应介质对此类试剂分析性能的影响。
The π charge density distributions of 15 trihydroxyfluorone reagents were calculated by Huckel molecular orbital method. The order of 3 hydroxyl groups dissociation, the coordination sites of metal ions and the chelate structure were determined. The effects of substituents and reaction medium on the analytical performance of such reagents were further discussed.