Liquid NMR Spectroscopy and X-ray Diffraction

NMR:

Liquid-phase NMR (Nuclear Magnetic Resonance) is an essential spectroscopic analytical method for chemists, enabling, in particular, the determination of the structure of small organic molecules or macromolecules in solution, as well as the study of dynamic phenomena... The objective of this course unit is to understand the phenomena involved in this technique and to relate them to the various structural insights provided by this method. The goal is to be able to interpret the spectral data obtained from this analysis to elucidate the structure and stereochemistry of organic molecules or the structures of polymers, or to monitor reactions.

X-ray diffraction:

X-ray diffraction is a powerful, non-destructive technique for characterizing the crystalline structure of materials; it is also capable of providing crystallographic and structural information, such as lattice parameters and atomic positions. This includes all crystalline materials, such as ceramics, materials for energy and information storage and processing, 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 goal 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:

To deepen understanding of the phenomena involved in an NMR experiment.

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

X-ray diffraction:

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

X-ray diffraction:

Physical Chemistry, Junior Year

NMR:

Master the basic concepts of organic chemistry and spectroscopy.

Analytical Chemistry (L3 level).

Assessment will take the form of a final exam.

NMR:

Review 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). Attribution techniques: APT, DEPT.

X-ray diffraction:

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

Administrative contact(s):

Master's in Chemistry Office

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