Abstract: This innovative undergraduate experiment integrates instrumental characterization through electronic circular dichroism (ECD) spectroscopy with quantum chemical computational methods to address the growing need for interdisciplinary curriculum development. The experimental protocol involves recording ECD spectra of chiral amino acids, screening and optimizing dominant molecular conformations, and computing theoretical spectra. Comparative analysis between experimental and computational results enables absolute configuration determination while facilitating in-depth examination of transition properties. The exercise enhances students’ proficiency in operating advanced analytical instrumentation and performing ECD theoretical calculations, thereby strengthening their fundamental research competencies.

Key words: Chirality, Electronic circular dichroism spectroscopy, Theoretical calculation, Amino acid