本文采用显微共聚焦拉曼光谱研究了三种水溶液中的氢键强度,并结合量子化学的MP2/6-311+G(d,p)水平优化其水、二甲基亚砜、丙酮、乙腈以及水与这三种有机溶剂分子的团簇结构.实验结果表明三种水溶液中氢键强度的顺序为:二甲基亚砜水溶液中的氢键〉丙酮水溶液中的氢键〉乙腈水溶液中的氢键.理论计算结论与实验研究结果相吻合.本研究将为丰富水溶液的氢键理论提供很好的实验依据.
In the present paper, DMSO/H2O,Acetone/H2O and ACN/H2O mixtures are measured by Raman spectroscopy. In addition, the optimized structure of DMSO/H2O,Acetone/H2O and ACN/H2O mixtures are calculated using MP2. The results showed that the hydrogen bond strength in three aqueous solutions are in the order,DMSO/H20 〉 Acetone/H2O 〉 ACN/H2O. The theoretical calculations are in good agreement with the experimental results. The research provides experimental basis for aqueous hydrogen bonding theory.