采用量子化学计算、红外光谱、X光电子能谱分析等手段对烷氧羰基硫脲树脂PDTU-Ⅰ与Ag+的螯合机理进行了分析,结果表明,PDTU-Ⅰ树脂的烷氧羰基具有较强的给出电子和接受过渡金属离子反馈电子的能力,是贵金属离子的优良配体;PDTU-Ⅰ吸附Ag+后,树脂中烷氧羰基红外光谱的吸收峰发生了改变,S 2p、N 1s和O 1s轨道的电子结合能升高,Ag 3d3/2和Ag 3d5/2轨道的电子结合能降低,说明PDTU-Ⅰ的烷氧羰基与Ag+发生了配位.综合分析认为,树脂与Ag+的配位机理可能是树脂硫羰基S原子、羰基O原子与Ag+按1:1的比例配位,形成了六元螯合环.
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