Application of Gaussian 09 Software in Electronic Circular Dichroism Spectroscopy Teaching
GOU Gao-Zhang1,2, WANG Ze-Feng1, HUANG Zhao-Long1, ZHOU Bo1, YAN He-Ping1, LIU Wei1,2
1. School of Science, Honghe University, Mengzi 661199, China; 2. Key Laboratory of Natural Pharmaceutical & Chemical Biology of Yunnan Province, Honghe University, Mengzi 661199, China
Abstract 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.
