Eléments de cristallographie et de spectroscopie moléculaire [ LCHM1251B ]

> 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

knowledge of basic algebra

- 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

- understanding the symmetry and in particular of the molecular symmetry

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

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).

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.

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

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

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