Infrared Spectroscopy is an incredibly versatile experimental technique that allows us to gather structural information about gaseous, liquid, or solid samples. While interpreting IR spectra is a basic practice in any undergraduate chemistry curriculum, understanding the theory requires a deeper grasp of the principles of quantum mechanics. Here we will explore the fundamental quantum mechanics that allows us to understand how IR spectroscopy works, and we will then take a deeper dive into more advanced topics that connect the theory and practice of IR spectroscopy.
This worksheet uses the Maple Quantum Chemistry Toolbox.