Liquid NMR spectroscopy and X-ray diffraction

NMR:

NMR (Nuclear Magnetic Resonance) in liquid phase is an essential spectroscopic method of analysis for the chemist, allowing in particular to determine the structure of small organic molecules or macromolecules in solution, the study of dynamic phenomena... The objective of this course is to understand the phenomena involved in this technique and to relate them to the various structural information accessible by this method. The aim is to be able to exploit the spectral data resulting from this analysis to elucidate the structure and stereochemistry of organic molecules or polymer structures, or to carry out reaction monitoring.

X-ray diffraction:

X-ray diffraction is a powerful and non-destructive technique for characterizing the crystal structure of materials, but it is also able to provide crystallographic and structural information such as lattice parameters and atomic positions. This includes all crystallized materials such as ceramics, materials for energy and information storage and transformation as well as organic molecules and metal complexes (interatomic distances and angles, stereochemistry (chirality, stereoisomerism...), intra and intermolecular bonds...). The objective of this course is an introduction to crystallography and diffraction, with the aim of understanding the operation and characteristics of an X-ray diffractometer, as well as the interpretation of diffraction patterns (structural analysis, lattice parameters).

Hourly volumes* :

            CM : 10

            TD : 10

NMR:

To perfect the knowledge associated with the phenomena involved in an NMR experiment.

Be able to analyze spectral data from 1D 1H and 13C spectra and relate them to the structure/stereochemistry of organic molecules, macromolecules or polymers

X-ray diffraction:

Introduction to crystallography (lattice, crystal planes, symmetry) and crystal structure resolution (structure factor, intensities); operation of a diffractometer; interpretation of a diffraction pattern.

X-ray diffraction:

Physical chemistry L3

NMR:

Master the basic concepts of organic chemistry and spectroscopy.

Analytical chemistry level L3.

The control of knowledge will be done in the form of a terminal control.

NMR:

Recall of the fundamental principles of NMR (nuclear spin, Zeeman effect, magnetization, scalar coupling...)

1H NMR: coupling and stereochemistry. Exchangeable nuclei. Effect of chemical equilibrium on spectra. Decoupling phenomenon.

13C NMR: broadband decoupling. T1 relaxation. Nuclear Overhauser Effect (NOE). Assignment techniques: APT, DEPT.

X-ray diffraction:

X-ray/matter interaction, diffraction, indexing, X-ray diffractometer, Bravais grating, crystal systems, structure factor, phase analysis, interpretation of X-ray diffractograms,

Administrative contact(s):

Secretariat Master Chemistry

https://master-chimie.edu.umontpellier.fr/

Jean Protas: Diffraction of radiation, Dunod

1. and C. McKie: Essentials of Crystallography, Blackwell Scientific Publications
2. Borchardt-Ott: Crystallography: an introduction, Springer
3. Als-Nielsen, D. McMorrow: Elements of Modern X-ray Physics, Wiley