Gaussian 09软件在电子圆二色谱教学中的应用

Application of Gaussian 09Software in Electronic Circular Dichroism Spectroscopy Teaching

利用Gaussian 09软件优化并计算了手性农药R-丁烯氟虫腈和S-丁烯氟虫腈的电子圆二色谱,讨论了其在立体化学（电子圆二色谱）教学中的具体应用,帮助学生对手性分子的三维空间结构、电子圆二色谱的理解及归属等方面有更加感性的认识,使教学内容形象生动,提高了学生的学习兴趣及积极性。

This paper optimized and calculated the structures and electronic circular dichroism spectra of chiral pesticides R-and S-butylene fipronil by Gaussian 09 software,and discussed the application of Gaussian software in teaching of stereochemistry（circular dichroism spectra）.It was helpful to understand the three dimensional structure of chiral molecules,the theory of electronic circular dichroism spectroscopy and the assignment of the electronic transition.And it could improve the students＇ learning interests and learning enthusiasm.