CAJ | 학술논문

把计算机模拟引入有机化学实验教学，研究了 Gaussian03程序模拟1，1′-联萘-2，2′-二酚的外消旋作用的反应历程，寻找反应过程中的中间体和过渡态，预测反应产物并探究反应机理，从而激发学生对有机实验的兴趣，完成现实有机实验操作较难控制完成的一些实验。引导学生主动设计反应过程，探究反应机理，寻找实验无法得到的反应信息，加强学生对有机化学基础理论和基本概念的理解，从而达到理论与实践紧密结合的目的。
파계산궤모의인입유궤화학실험교학，연구료 Gaussian03정서모의1，1′-련내-2，2′-이분적외소선작용적반응역정，심조반응과정중적중간체화과도태，예측반응산물병탐구반응궤리，종이격발학생대유궤실험적흥취，완성현실유궤실험조작교난공제완성적일사실험。인도학생주동설계반응과정，탐구반응궤리，심조실험무법득도적반응신식，가강학생대유궤화학기출이론화기본개념적리해，종이체도이론여실천긴밀결합적목적。
Introducted computer simulation into organic chemistry experiment teaching.Gaussian03 has been applied to the study of pathway and transition states for the configurational inversion of 1,1′-binaphthalene-2,2′-diol.And then seeked reaction intermediates and transition states,predicted the reaction products and explored the reaction mechanism.Firstly,it can stimulate students' interest in organic experiment,complete some organic experiments which is difficult to control realitily.Secondly,it will train students to take the initiative to design reaction process, inquire reaction mechanism and find the reaction information could not get from the experiment , thereby strengthening understanding of the students to organic chemistry basic theory and basic the concept and reaching the purposes of theoretical closely integrated with the practice.