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中文摘要：
利用红外和拉曼光谱技术研究了Li^＋在不同浓度、不同溶剂组成的LiBF4/N,N-二基甲酰胺-乙腈、LiBFa/N,N-二甲基甲酰胺一四氢呋喃电解质溶液中的优先溶剂化现象．红外和拉曼光谱的分析表明，Li^＋主要与DMF分子相互作用，导致该分子的C=O伸缩振动谱带、N-C=O形变谱带、CH3摇摆谱带等发生了分裂．Li^＋与其它溶剂分子的相互作用较弱，谱带的分裂现象并不明显．Li^＋溶剂化数的计算显示，Li^＋第一溶剂化层内DMF分子的数目一般大于2，这说明Li^＋在混合溶剂体系内优先与DMF分子相互作用．量子化学计算支持了这一结论．
英文摘要：
Solutions of lithium tetrafluoroborate in N,N-dimethylformamide-acetonitrile and N,N-dimethylformamide-tetrahydrofuran mixed solvents have been investigated by infrared and Raman spectroscopies. New bands, due to Li^＋ solvation, were detected in the region of the C=O strectching, O=C-N deformation and CH3 rocking modes for N,N-dimethylformamide. The change in band for the co-solvents was weak. The number of N,N-dimethylformamide molecules in the first solvation shell of Li^＋ was calculated and. the preferential solvation of lithium ion by N,N-dimethylformamide indicated. This result has been supported by our ab initio calculations.
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