Understanding Infrared Spectra Through Vibrational Motion and Delocalization of Chemical Bond
HE Jia-Ni1,2, ZHANG Ming-Chao1,2, PAN Qing1,2, CAI Kai-Cong1,2**
1. Fujian Normal University, College of Chemistry and Materials Science, Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering, Fuzhou 350117, China; 2. Xiamen University, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005, China
Abstract The infrared spectra were deciphered according to the vibrational motions of chemical bonds.With the help of potential energy distribution(PED)analysis,the amide-I band of alanine dipeptide(ALAD)was assigned and its components of vibrational motions were demonstrated,thus,the contributions from bond stretching,bending and torsion to specific vibrational mode were revealed.The results help students to gain insights into molecular vibrational delocalization and the frequency shifts of specific vibrational motions in different chemical environments,therefore,a better understanding of molecular vibration and infrared spectrum can be acquired.
HE Jia-Ni, ZHANG Ming-Chao, PAN Qing, CAI Kai-Cong. Understanding Infrared Spectra Through Vibrational Motion and Delocalization of Chemical Bond[J]. Chinese Journal of Chemical Education, 2025, 46(4): 108-113.
