Gaussian软件在有机化合物波谱解析教学中的应用(Ⅱ)——吲哚紫外光谱及其跃迁轨道的可视化

Application of Gaussian Software in Spectrometric Identification of Organic Compounds Teaching(Ⅱ):Visualization for UV Spectrum and Electronic Transition of Indole

基于Gaussian 09软件对吲哚紫外光谱的理论研究结果,采用Gaussian View对其紫外光谱中的跃迁轨道进行可视化,让学生对紫外光谱中常见的π→π*跃迁有更感性的认识,以理解紫外光谱的本质,提高教学效果.吲哚的紫外光谱具有典型的π→π*跃迁特征,是紫外光谱教学中常用的案例.以此为例,介绍了Gaussian软件在紫外光谱教学中的具体应用.

According to theoretical research results of indole ultraviolet spectrum based on software Gaussian 09,Gaussian View was adopted to visualize transition trajectories in indole ultraviolet spectrum,allowing students to more intuitively learn about π→π~* transition which is common in ultraviolet spectrum and understand the essence of ultraviolet spectrum,so as to improve teaching effect.As the indole ultraviolet spectrum is of typical characteristic of π→π~* transition,it is generally taken as an example in ultraviolet spectrum teaching.Therefore,this paper took indole ultraviolet spectrum as example to introduce the specific application of software Gaussian in ultraviolet spectrum teaching,so as to provide some reference for peers.