Liquid NMR spectroscopy and X-ray diffraction

NMR:

Liquid-phase NMR (Nuclear Magnetic Resonance) is an essential spectroscopic analysis method for chemists, enabling them to determine the structure of small organic molecules or macromolecules in solution, study dynamic phenomena, and more. The aim of this course unit is to understand the phenomena involved in this technique and to relate them to the various structural information accessible by this method. The goal is to be able to use the spectral data from this analysis to elucidate the structure and stereochemistry of organic molecules or polymer structures, or to monitor reactions.

X-ray diffraction:

X-ray diffraction is a powerful, non-destructive technique for characterizing the crystalline structure of materials. It can also 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 conversion, as well as organic molecules and metal complexes (interatomic distances and angles, stereochemistry (chirality, stereoisomerism, etc.), intra- and intermolecular bonds, etc.). The objective of this course unit is to provide an introduction to crystallography and diffraction, with the aim of understanding the operation and characteristics of an X-ray diffractometer, as well as interpreting diffraction patterns (structural analysis, lattice parameters).

Hourly volumes:

            CM: 10

            TD: 10

NMR:

Perfect your knowledge of the phenomena involved in an NMR experiment.

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

X-ray diffraction:

Introduction to crystallography (lattice, crystal planes, symmetry) and crystal structure determination (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 3.

Knowledge will be assessed in the form of a final exam.

NMR:

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

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

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

X-ray diffraction:

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

Administrative contact(s):

Master's Program in Chemistry Secretariat

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