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

作　　者：王小英[1] 李静[2] 吴晓静 刘阿钻 WANG Xiao-ying;LI Jing;WU Xiao-jing,;LIU A-zuan(Department of Resources Development,Anhui Industry Polytechnic,Tongling 244000,China;Institute for Geoanalysis of Anhui Province,Hefei 230001,China;School of Chemical Engineering,Hefei University of Technology,Hefei 230009,China)

机构地区：[1]安徽工业职业技术学院资源开发系,安徽铜陵244000 [2]安徽省地质实验研究所,安徽合肥230001 [3]合肥工业大学化学与化工学院,安徽合肥230009

出　　处：《分子科学学报》2018年第5期424-429,共6页Journal of Molecular Science

基　　金：2017年度安徽教育厅自然科学基金资助项目(KJ2017A877).

摘　　要：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.

关 键 词：过渡金属 理论计算 拉曼光谱 微团簇结构 

分 类 号：O641[理学—物理化学]