摘要
本文分析了Menschutkin反应过渡态的结构,提出了确定过渡态分子参量的方法。同时讨论了反应活化自由焓的构成,并给出一般表示式。在此基础上,应用定标粒子理论计算了Menschutkin反应:Et_3N和EtI,(n-Pr)_3N和MeI在极性质子溶剂和极性非质子溶剂以及混合溶剂中的动力学溶剂效应。覆盖的温度范围为293.15～343.15K。结果表明,反应速率常数的计算值与实验值能较好地符合。
In this Paper, the structure of the transition state of the Menschutkin reaction was analyzed, and a method for determining the molecular parmeters of a transition state was pressented. On this basis, the scaled particle theory has been applied to the calculation of kinetic solvent effects on the reactions of triethylamine with ethyl iodide, and tripropylamine with methyl iodide. The results of calculation are in good agreement with those of experiment in protic, dipolar aprotic solvents, and in mixed solvents in the temperature range of 293.15 to 343.15K.
