Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene

摘要

This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAR), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational spectra and the molecular structure obtained from computational chemistry to other PAHs, including C-60. The delocalized electron in corannulene is also conceptually explored using the particle in a disk model. This laboratory exercise allows students to explore multiple physical chemistry concepts in one, 3 h laboratory exercise centered around one theme.