Eléments de cristallographie et de spectroscopie moléculaire

LCHM1251B  2016-2017  Louvain-la-Neuve

Eléments de cristallographie et de spectroscopie moléculaire
4.0 credits
30.0 h + 10.0 h
1q

Teacher(s)
Filinchuk Yaroslav ;
Language
Français
Online resources

> https://symmetry.otterbein.edu/- interactive guide to molecular symmetry

> https://escher.epfl.ch/mobile/- crystallography on a mobile phone, 2D periodic groups

> https://nanocrystallography.research.pdx.edu/index.py/links- collection of useful links

> https://escher.epfl.ch/eCrystallography/- electronic crystallography course

Prerequisites

knowledge of basic algebra

Main themes

- Symmetry Elements

- Crystal lattice

- Point Groups

- Space groups

- Use of the International Tables for Crystallography

- Principles of diffraction, reciprocal space

- Intensity diffracted by a crystal

- Single-crystal diffraction, powder diffraction

- Experimental methods and instruments

- Information obtained from the diffraction

- Introduction to structural chemistry, contribution of crystallography to chemistry knowledge

Aims

- understanding the symmetry and in particular of the molecular symmetry

- understanding the foundations of modern crystallographic analysis and results they deliver

The contribution of this Teaching Unit to the development and command of the skills and learning outcomes of the programme(s) can be accessed at the end of this sheet, in the section entitled “Programmes/courses offering this Teaching Unit”.

Evaluation methods

oral exam with a written preparation. It includes two theoretical questions: one with and one without a written preparation (15 points). The practical part is examined by the engineer, Dr. Koen Robeyns, and is evaluated with a maximum of 5 points. One more point students can get for the creative home work (the task is given).

Teaching methods

The course is taught with the use of PowerPoint slides, available at iCampus. The lecture course also includes demonstration software and the use of interactive material. Exercises are provided to facilitate the understanding.

Content

Symmetry

1.             Introduction, molecules and crystals, symmetry elements

2.             Point groups, chirality

3.             Translation, planar groups, lattice, elements of periodic symmetry

4.             Space groups, International Tables for Crystallography
Methods

5.             X-rays, neutrons, principles of diffraction, reciprocal space

6.             Structure factor, Fourier synthesis, phase problem

7.             Diffraction methods: single crystal and powder diffraction

8.             Information obtained by diffraction

9.             Solution and refinement of crystal structures

10.          Introduction to modern software (Crysalis, Fullprof, Shelx, Fox)
Results

11.           Use and presentation of results, interpretation of literature data

12.           Introduction to structural chemistry

13.           In-situ studies: Chemistry by diffraction

14.           "large facilities instruments" - synchrotrons and neutron sources: the great opportunities

Symmetry+

15.           Character tables, irreducible representations

Bibliography

1.     J.-J. Rousseau, A. Gibaud, Cristallographie géométrique et radiocristallographie (Dunod, 3e édition, 2007).

2.     R. Tilley, Crystals and crystal structures (Wiley, 2006).

Faculty or entity<


Programmes / formations proposant cette unité d'enseignement (UE)

Program title
Sigle
Credits
Prerequisites
Aims
Minor in Chemistry
4
-

Bachelor in Chemistry
4
-

Master [120] in Biochemistry and Molecular and Cell Biology
4
-

Master [60] in Biology
4
-