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稀土金属Nd溶入NdCl_3熔盐中造成的冰点下降表明,Nd在NdCl_3熔盐中可能形成二价离子Nd~(2+)。我们用量子化学计算也肯定了这种可能性。我们以前的工作曾证明,金属溶入熔盐中常形成原子簇离子。为了判明Nd~(2+)是否可能与周围的Nd_(3+)形成原子簇离子,我们用量子化学SCF DVX_α方法研究Nd~(2+)和Nd~(3+)
The decrease of freezing point caused by rare earth metal Nd dissolved in NdCl_3 molten salt indicates that Nd may form divalent ions Nd ~ (2+) in NdCl_3 molten salt. We also confirm this possibility with quantum chemistry calculations. Our previous work has demonstrated that metal ions often form clusters in molten salts. In order to find out whether Nd 2+ might form cluster ions with the surrounding Nd 3+, we investigated the effects of Nd 2+ and Nd 3+ on the basis of quantum chemistry SCF DVX_α method.