Chemistry C637 - Physical Methods in Structural Chemistry

Chemistry C631 - Chemical Crystallography

The course "Chemical Crystallography" (3 cr.) is intended for graduate students who wish to acquire a basic understanding of crystallography, the mathematical foundations of diffraction principles, and hands-on experience in the operation of X-ray diffractometers, computer software for crystal structure determination and visualization, as well as crystallographic databases. The goal of the course is to prepare students to independently operate diffractometers and carry out X-ray structure determinations for their Ph.D. or M.S. theses. No prior knowledge of crystallography is required.

The theory portion of the course (lecture) will introduce principles of diffraction, point and space group symmetry, reciprocal space, data reduction and absorption corrections, direct and Patterson methods for structure solution, structure refinement, visualization and interpretation, as well as advanced topics such as absolute structure determination, disorder, non-crystallographic symmetry, twinning, and phase transitions.

In the laboratory portion of the course, students will learn how to design crystallographic experiments from sample preparation and the measurement of diffraction data using the instrumentation available at the IUMSC, to structure solution, refinement, and evaluation. Students will also be introduced to common crystallographic software and databases.

Students will be evaluated via class and laboratory participation, homework, quizzes, a midterm exam, and a final project. There will be no final exam. The final project will consist of a structure determination of a sample that may or may not be from the student's own research project and the preparation of a manuscript for publication in Acta Crystallographica Section C: Crystal Structure Communications or a similar journal.

Class of Fall 2012