从机理和动力学角度分析和优化硝化反应条件

On the Condition Optimization for Aromatic Nitration Reaction Based on the Mechanisms and Kinetic Equations

从芳香化合物的硝化反应出发,使用动力学手段对反应机理进行处理,推导出可能的速率方程,讨论反应底物的结构对决速步骤的影响,分析反应的影响因素,探讨优化反应的方法。针对在反应体系中加入脱水剂提出新的机理假设,推导出速率方程并讨论了其合理性。该讨论作为一个用物理化学原理优化有机反应条件的优秀案例,用以加强学生对有机化学反应的理解。

The kinetic features of the nitration reaction of aromatic compounds were discussed.The structure dependence of the rate-determining step and therefore the rate equation is derived.Based on these discussions,the influential factors of nitration reaction are analyzed and the reaction conditions are optimized.For addition of dehydration agent,the possible mechanism is proposed based on which this rate equation and optimal conditions are discussed.This can be used as a good case for case-study for application of the principle of physical chemistry in organic chemistry so as to deepen the students’understanding of condition optimization.