Chemistry 417 » Spring » 2nd Half
2 Credits
X-ray Crystallography
Instructor(s): Kara L. Bren, William BrennesselPrerequisites: None.
Crosslisting: None.
Course Summary:
Students will learn the basic principles of X-ray diffraction, symmetry, and space groups. Students will also experience the single crystal diffraction experiment, which includes crystal mounting, data collection, structure solution and refinement, and the reporting of crystallographic data.
Students will learn the basic principles of X-ray diffraction, symmetry, and space groups. Students will also experience the single crystal diffraction experiment, which includes crystal mounting, data collection, structure solution and refinement, and the reporting of crystallographic data.
Course Topics:
- Molecular and crystallographic point group symmetry.
- Crystal systems and Bravais lattices. The unit cell. Translational symmetry and space groups.
- X-rays, the Bragg equation, reciprocal space.
- Structure factors.
- Diffraction patterns, systematic absences, space group determination.
- Data corrections (Lp, absorption, scaling, etc.)
- Structure solution: Patterson methods, direct methods, refinement
- Interpretation and presentation of results.
- Awareness of crystallographic challenges.
- Critical evaluation of published structures.
- Common issues: Disorder and twinning.
Required Text:
Massa, Crystal Structure Determination, 2nd Ed.
Other Textbooks:
Clegg, Crystal Structure Analysis: Principles and Practice
Stout and Jensen, X-ray Structure Determination
IUCR, International Tables for Crystallography, Vol. A
Müller, Crystal Structure Refinement: A Crystallographer’s guide to SHELXL
Giacovazzo et al., Fundamentals of Crystallography
Massa, Crystal Structure Determination, 2nd Ed.
Other Textbooks:
Clegg, Crystal Structure Analysis: Principles and Practice
Stout and Jensen, X-ray Structure Determination
IUCR, International Tables for Crystallography, Vol. A
Müller, Crystal Structure Refinement: A Crystallographer’s guide to SHELXL
Giacovazzo et al., Fundamentals of Crystallography