Advanced NMR

Course Code :2000WETNMR
Study domain:Chemistry
Academic year:2019-2020
Semester:1st semester
Contact hours:25
Credits:6
Study load (hours):168
Contract restrictions: No contract restriction
Language of instruction:English
Exam period:exam in the 1st semester
Lecturer(s)José C. Martins
Davy Sinnaeve

3. Course contents *

1. Introduction :
- The nucleair spin as the basis for a spectroscopic technique
- Precession
- Magnetization
- The vector model
- Pulse Fourier Transform NMR : the technique in terms of the vector model
- The Spin Echo: a 'jack of all trades'
Introduction of concepts that allow to introduce the important theoretical and practical aspects of NMR spectroscopic techniques used for structural analysis.
2. Relaxation
- Relaxation processes: a phenomenological view
- T1 en T2 processes and their impact on the measurement process
- Measuring T1 and T2
- The nuclear Overhauser effect (nOe) als the source of conformational information.
3. Advanced NMR techniques for structure analysis
- Practical aspects of measuring and processing NMR spectra
- 1D techniques: APT, Polarization transfer : INEPT
- 2D techniques: principles (presented phenomenologically using the vector model)
- 2D J-correlation techniques: COSY, TOCSY, HSQC, HMBC
- 2D nOe-correlation techniques: NOESY, ROESY
An overview is presented of the most used techniques and practical aspects related to advanced structural analysis is presented. The emphasis is put on the spectra that result from these techniques, rather than on the pulse sequences themselves.
4. Structure Analysis with NMR: integrated approach
- Integration of 1D and 2D NMR techniques into a protocol for advanced structure analysis
- Molecular Modelling based on NMR data
- Illustration with selected examples (during tutorials)
- Recent examples of structure analysis with NMR based on literature examples
5. Beyond Structure Analysis
- Dynamic Phenomena : Chemical Exchange
- NMR and intermolecular interactions : from host-guest chemistry to biomolecular screening
- The diffusion dimension in NMR