SubjectsSubjects(version: 949)
Course, academic year 2021/2022
Advanced X-ray Crystallography - P108003
Title: Pokročilá RTG strukturní krystalografie
Guaranteed by: Department of Solid State Chemistry (108)
Faculty: Faculty of Chemical Technology
Actual: from 2020 to 2021
Semester: winter
Points: winter s.:0
E-Credits: winter s.:0
Examination process: winter s.:
Hours per week, examination: winter s.:0/0, other [HT]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type: doctoral
Note: course is intended for doctoral students only
can be fulfilled in the future
Guarantor: Hušák Michal doc. Dr. Ing.
Annotation -
Last update: Fialová Jana (24.04.2020)
The aim of the course is to teach students how to obtain information about the complete structure of investigated compound using diffraction methods. The course is suitable for pharmacists, organic chemists but also inorganic chemists who need to analyse crystalline products.
Aim of the course -
Last update: Fialová Jana (24.04.2020)

Students will be able to:

Utilize the methodology of X-ray diffraction analysis in the form of their own experiments.

Interpret the results of X-ray diffraction analysis from databases and literature.

Propose appropriate analytical methods for the solution associated with the solid state phase's analysis.

Literature -
Last update: Fialová Jana (24.04.2020)

A: Kratochvíl B., Chemie a fyzika pevných látek I, VŠCHT Praha, 1994, 8070801964

A: Kratochvíl B., Jenšovský L., Úvod do krystalochemie, SNTL Praha, 1987, 0460887

A: Giacovazzo C., Fundamentals of Crystallography, Oxford Science Publications, 1992,

Syllabus -
Last update: Fialová Jana (24.04.2020)

1. Crystal structure. Space groups, application, matrix representation.

2. Types of radiation used for crystallographic studies and their characteristics.

3. Sources of radiation for crystallographic studies.

4. Bragg equation, Evald construction. Geometrical model of diffraction experiment.

5. Different arrangement of diffraction experiments, in terms of radiation used and sample type.

6. Atomic scattering factor, structure factor, anomalous dispersion.

7. Measuring on the four-circle diffractometer.

8. Correction's of diffraction data.

9. Methods for solving the phase problem. Charge flipping methods.

10. Structure refinement from the diffraction data. Absolute structure determination, restrains, modulated structures.

11. Specific problems of biological macromolecules structures solution.

12. Solution of crystal structures from powder diffraction data. Rietveld method. Utilising CSD for solution. Building models of the molecules.

13. Methods for solving crystal structures based on electron microscopy.

14. Databases of crystallographic data. Structure prediction.

Course completion requirements -
Last update: Fialová Jana (24.04.2020)

Exam - 3 questions.