Advanced Molecular Characterization

FaculteitFaculty of Science

NiveauMaster

Studiejaar2026-2027

Beschrijving

Course goals

Course goals:
At the end of this course, a student should be able to:
- Understand the physical principles of different analytical or computational techniques
- Choose one or more technique to address specific questions about organic compounds, organometallic complexes, or reactive intermediates
- Combine information from different techniques to elucidate the structure of molecules or the mechanism of chemical reactions
- Critically assess the quality of data supporting claims in scientific reports

Content

Course content:
- Mass spectrometry: Mass spectrometry: Principles of mass spectrometry, instrumentation fundamentals such as ionization techniques and mass analyzers, fragmentation analysis for various compound classes and mass spectra interpretation.
- Advanced NMR: 1D and 2D Methods, structural elucidation of complex (carbohydrate) molecules, Multinuclear and Variable Temperature NMR.
- X-ray Crystallography: Interpretation of crystal structures, intramolecular geometry, intermolecular interactions, crystallographic databases
- DFT calculations: Elements of theory, functionals and basis sets, potential energy surfaces and reaction mechanisms, understanding and predicting reactivity
- Structural elucidation of small molecules: learning how to strategically use the various tools available to chemists to assign a chemical structure to an unknown material

Instructional modes:
Lectures, Tutorials, Project

Test
Partial exam 1 (45%), Partial exam 2 (35%), Project written report (20%)

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