"Single Crystal X-ray Diffraction Short Course"

Single crystal diffractometry has become a ubiquitous tool in chemical research. Most undergraduate students have seen 3D representations of crystal structures but few have any understanding of how these crystal structures were derived. Thus, in collaboration with Prof. Guy Crundwell at Central Connecticut State University, we will conduct a one-day, hands-on technical session. The workshop will cover the fundamentals of X-ray diffraction, from sample selection and data acquisition to solving a structure. Several short lectures (20-25 min) by Guy Crundwell and Christian Brückner on the theoretical and technical concepts of diffraction, Fourier transforms, reciprocal space and its relation to unit cell and symmetry, data integration, solution, and model refinement will be offered.

Parallel to the lectures, a suitable crystal will be selected, mounted, data will be collected, and the structure will be solved and refined. The lecture sessions will be interspersed with group activities such as inspection of the instrument, symmetry exercises, laser pointer diffraction experiments, selection and mounting of crystals under the microscope, and lunch/coffee breaks. The course will end with looking at the key information gained from the X-ray diffraction experiment and how to quantitatively assess the quality of data and the resulting validity of the model obtained. At the end of the day, the students should have a good visual and conceptual idea about where crystal structures come from and what they mean.