4 ECTS credits
120 h study time
Offer 1 with catalog number 4023294ENR for all students in the 2nd semester at a (E) Master - advanced level.
Structure determination by X-ray diffraction and structure solving/refining is the main goal of this course. A practical oriented course will be provided in which students learn how to understand, evaluate and extract all possible structural information from a diffraction pattern. Indexation, crystal parameters, powder diffraction, quantitative analysis, single crystal X-ray diffraction and texture analysis of thin films will be covered.
Contents
1 Powder diffraction
1 • data collection
1 • • Sample preparation
1 • • Diffractometer settings
1 • Structure refinement from powder diffraction
1 • • Indexing
1 • • cell parameters
1 • • qualitative and quantitative analysis
1 • Refinement
2 Advanced X-ray techniques: pair-distribution function, GISAXS, WAXS, SAXS
3 Single crystal X-ray diffraction
1 • Crystallization procedures
1• Theory and practice
1 • Data collection and processing
1 • Crystallography of small molecules
1 • • Direct methods
1 • • Patterson
1 • • Absolute configuration
1 • Crystallography of (bio)macromolecules
1 • • The phase problem
1 • • Molecular replacement
1 • • Anomalous scattering
• Structure refinement and model building
1 • Structural databases
1 • • CSD, PDB/NDB
1 • • Structure validation
4 Texture analysis of thin films
1 • • Texture
1 • • Epitaxy
1 • • Substrate
1 • • Roughness
1 • • Micro structure
• • Bragg-Brentano
• rocking curves
• glancing angle
• grazing incidence
1 • • texture analysis (Pole figures)
1 • • EBSD
• RHEED
• LEED
Students have a background in mathematics for chemists, basic physics, structural analysis. and materials chemistry
he slides will be posted via Minerva + references to English handbooks
The students must be able to analyze in detail and discuss an X-ray diffraction pattern -
manually and using databases and software packages
The final grade is composed based on the following categories:
Other Exam determines 100% of the final mark.
Within the Other Exam category, the following assignments need to be completed:
Periodic evaluation (80%) + permanent evaluation (20%)
This offer is part of the following study plans:
Master of Chemistry: Analytical and Environmental Chemistry