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利用荧光光谱和量子化学计算方法研究了LiCl和MgCl2对N,N-二甲基甲酰胺(DMF)/乙醇双溶剂体系的微观结构变化的影响。通过对DMF的N—C O键以及盐与DMF和乙醇相互作用的研究发现,离子溶剂化作用导致溶剂体系结构变化,生成多种具有荧光属性的团簇,且随浓度的变化而变化。结合具有荧光属性的团簇分子跃迁能和可能的配位构型的优化以及热力学性质计算得到,共轭体系越大的团簇分子受盐的影响越小且其跃迁能越小的规律。比较Li+和Mg2+形成配位构型离子簇的稳定性和荧光强度,说明了离子极化对溶剂化的影响。
The effects of LiCl and MgCl2 on the microstructure of N, N-dimethylformamide (DMF) / ethanol double-solvent systems were studied by fluorescence spectroscopy and quantum chemistry calculations. Through the study of the N-C O bond in DMF and the interaction of salt with DMF and ethanol, it has been found that the ionic solvation results in the change of solvent system structure and the generation of many clusters with fluorescence properties, which change with the concentration. The results show that the larger the conjugate system, the smaller the influence of salt and the smaller the transition energy are, the better the binding energy is. Comparing the stability and fluorescence intensity of Li + and Mg2 + to form the coordination configuration ion cluster, the influence of ion polarization on solvation is illustrated.