University of Liege | Version française
Study programmes 2008-2009Last update : 29/06/2009
CHIM0642-1  Molecular dynamics and photochemistry
Duration :  30h Th
Credits/ECTS :  
Master in Chemical Sciences, in-depth approach, 1st yearDeuxième quadrimestre4
Master in Chemical Sciences, didactic approach, 1st yearDeuxième quadrimestre4
Master in Chemical Sciences, specialized approach, 1st yearDeuxième quadrimestre4
Master in Chemical SciencesDeuxième quadrimestre4
Holder(s) :  Bernard Leyh
Language :  Langue française
Course contents :  The following topics will be critically presented:

1. Molecular dynamics: chemical kinetics (a brief reminder); potential energy surfaces; transition from the molecular to the macroscopic level; introduction to the experimental techniques; theoretical approaches: collisional theories and transition state theories; reactions in solution.

2. Photochemistry: photophysical relaxation mechanisms, bimolecular processes, mechanism of typical photochemical reactions (Norrish I and II reactions, e.g.) based on the potential energy surfaces involved.
Course objective :  The students are expected to develop the following competences: (i) become able to understand and, in some cases, suggest a molecular interpretation for chemical reactions taking place under thermal or photochemical activation conditions; (ii) become able to assess the advantages of a photochemical approach in organic chemistry.
Prerequisites :  Basic aspects of general, physical and organic chemistry taught at the bachelor level
Workshops :  No laboratory work is organized for this course
Organization :  Theoretical course: 15 to 20 lectures (30 hours globally). The schedule is communicated to the students at the beginning of the academic year.
Written notes :  Lecture notes are available. They consist in two parts: (i) Molecular dynamics; (ii) Photochemistry.
The reference book for the "Molecular Dynamics" part is: J. I. Steinfeld, J.S. Francisco and W.L. Hase, Chemical Kinetics and Dynamics, 2nd Edition, Prentice Hall (Upper Saddle River, NJ, 1999)
Assessment :  Oral examination
Contacts :  Bernard Leyh
Department of Chemistry, Building B6c (Office R77 and lab S72), B-4000 Liège 1 (Sart Tilman)
Phone: +32/(0)4/366.34.25 - E-mail : Bernard.Leyh@ulg.ac.be


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