利用表面增强拉曼散射对La3+和Gd3+稀土离子进行分类
Classification of La3+ and Gd3+ rare earth ions using surface-enhanced Raman scattering
AI总结：
本研究首次利用表面增强拉曼散射对稀土离子进行分类，通过柠檬酸盐封端的银纳米颗粒增强信号，依据特征峰比值区分La3+和Gd3+，并结合DFT计算揭示机理。
摘要：
本研究首次研究了不同稀土（RE）离子-柠檬酸盐配合物的表面增强拉曼散射（SERS）光谱，用于RE3+离子的定性分类。在水溶液中，将RE3+离子添加到柠檬酸盐封端的银纳米颗粒中后，RE-柠檬酸盐配合物的拉曼信号得到增强，并在1065 cm-1和1315 cm-1附近出现特征峰。La-柠檬酸盐和Gd-柠檬酸盐的I1065/I1315比值分别约为1和0.5。因此，基于1065 cm-1和1315 cm-1附近特征SERS峰的比值，对不同RE3+离子进行了分类。此外，基于密度泛函理论（DFT）计算，分析了RE-柠檬酸盐配合物中RE3+离子的影响。计算结果表明，这些特征峰归因于柠檬酸盐的羧基和羟基与RE3+离子的配位，表明这些是RE-柠檬酸盐配合物的自旋相关谱带。
英文摘要：
In this study, surface-enhanced Raman scattering (SERS) spectra of different rare earth (RE) ion-citrate complexes were investigated for the first time for the qualitative classification of RE3+ ions. With the addition of RE3+ ions to citrate-capped silver nanoparticles in aqueous solutions, the Raman signals of RE-citrate complexes were enhanced, and characteristic peaks appeared near 1065 cm-1 and 1315 cm-1. The I1065/I1315 ratios of La-citrate and Gd-citrate were approximately 1 and 0.5, respectively. Thus, different RE3+ ions were classified based on the ratio of characteristic SERS peaks near 1065 cm-1 and 1315 cm-1. In addition, the effects of RE3+ ions in the RE-citrate complexes were analyzed based on density functional theory (DFT) calculations. Calculation results show that these characteristic peaks are attributed to the coordination of carboxyl and hydroxyl groups of citrates with the RE3+ ions, suggesting that these are spin-related bands of the RE-citrate complexes.
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