Application of Gaussian Software in Infrared Spectroscopy Teaching Taking Isotope Effect as Example
HOU Yan-Jun1,2,3, ZHUANG Dan-Ling1,2, YAN Si-Yi1,2, CAI Kai-Cong1,2,3
1. College of Chemistry and Chemical Science, Fujian Normal University, Fuzhou 350007, China;
2. Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, China;
3. Fujian Province University Key Laboratory of Green Energy and Environment Catalysis, Ningde Normal University, Ningde 352100, China
Abstract The isotope effect on the infrared spectra of functional groups in molecule was investigated by using the Gaussian software. It is helpful for the students' understanding about the frequency shift of specific IR peak caused by the isotopic substitution during class, and also inspires the students' thinking and motivation in designing effective protocols of isotope substitution after class. Therefore, the students can utilize the Gaussian software to transfer the classroom knowledge into the practice of identifying compound's components.
HOU Yan-Jun, ZHUANG Dan-Ling, YAN Si-Yi, CAI Kai-Cong. Application of Gaussian Software in Infrared Spectroscopy Teaching Taking Isotope Effect as Example[J]. Chinese Journal of Chemical Education, 2017, 38(24): 74-77.
