拉曼光谱与理论计算研究金属离子Cu溶液弱相互作用力

Theoretical calculation and Raman spectroscopy studies on the weak interaction of metal ions Cu solution

采用理论计算和实验光谱对金属离子Cu^2＋-丁基二硫代碳酸盐及水溶液中弱相互作用力进行了研究.通过拉曼光谱特征峰的位移、强度变化和温度变化对溶液中金属离子Cu^2＋微团簇结构的影响进行了讨论,得到了伴生元素Fe存在下,丁基二硫代碳酸盐溶液中的微团簇结构、铜溶液（H2On（n=2～6）团簇和[CuH2On]^2＋（n=2～6）团簇随着温度的变化和影响逐渐减小的规律,发现实验与理论计算的结果一致.

The weak interaction between metal ions Cu^2＋-butyl dithiocarbonate and aqueous was studied by experimental spectroscopy and theoretical calculation. The influence of the characteristic peaks shift of Raman spectroscopy, and the change of intensity and temperature on the structure of Cu^2＋ micro-cluster in solution was discussed. It was found that the structure of micro-cluster in butyl carbonate solution,（H2On（n=2～6） and [Cu（H2On]^2＋（n=2～6） clusters decrease with the change of temperature when including associated element Fe. The experimental results are in agreement with the theoretical calculation.