The Incorporation of a Single-Crystal X-ray Diffraction Experiment into the Undergraduate Physical Chemistry Laboratory

Abstract

Recent advances in detector technology and computing methods have made it possible to incorporate X-ray diffraction methods for routine analysis into the undergraduate chemistry curriculum. At the W. M. Keck Foundation Center for Molecular Structure (CMolS) at CSU Fullerton, we have integrated a two-week laboratory for determining crystal structures of organic molecules into the upper-level physical chemistry laboratory course. During this two-week experiment, students prepare a single-crystal sample of an organic substance, collect and integrate diffraction data, then refine a direct-methods structure solution. The laboratory successfully introduces the elementary concepts of X-ray diffraction and crystal structure determination. The refinement results serve as an excellent segue to discussions on the physical properties of crystals, packing interactions, thermal motions, and chirality, which can be expanded into an undergraduate course on X-ray crystallography.