2017-2018 / CHIM0642-1

Molecular dynamics and photochemistry

Duration

30h Th

Number of credits

 Master in chemistry (120 ECTS)4 crédits 
 Master in chemistry (60 ECTS)4 crédits 

Lecturer

Bernard Leyh, Benoît Mignolet

Coordinator

Bernard Leyh

Language(s) of instruction

French language

Organisation and examination

Teaching in the second semester

Units courses prerequisite and corequisite

Prerequisite or corequisite units are presented within each program

Learning unit contents

The following topics will be critically presented:
1. Molecular dynamics (B. Mignolet, 15 hours): reactive hard sphere collisional theory; transition state theory; thermodynamical reformulation of transition state theory; ultrafast dynamics: from the femto- to the attosecond range); reactions in solution.
2. Photochemistry (B. Leyh, 15 hours): properties of electronic excited states; photophysical relaxation mechanisms; bimolecular processes; mechanism of typical photochemical reactions (Norrish I and II reactions, e.g.) based on the potential energy surfaces involved.

Learning outcomes of the learning unit

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.

Prerequisite knowledge and skills

Basic aspects of general, physical and organic chemistry taught at the bachelor level

Planned learning activities and teaching methods

No laboratory work is organized for this course

Mode of delivery (face-to-face ; distance-learning)

Theoretical course: 15 to 20 lectures (30 hours globally). The schedule will be provided to the students during the first quadrimester. The course is given during the second quadrimester.

Recommended or required readings

Lecture notes on photochemistry are available. The powerpoint slides for both parts will be made available.
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). For the "Photochemistry" part, the recent textbook by N. J. Turro, V. Ramamurthy and J.C. Scaiano, "Modern molecular photochemistry of organic molecules" (University Science Books, Sausalito, CA, 2010) is recommended.

Assessment methods and criteria

Oral examination

Work placement(s)

Organizational remarks

Contacts

Benoît Mignolet Department of Chemistry, Building B6c (Office R79), B-4000 Liège 1 (Sart Tilman) Phone: +32/(0)4/366.23.43 - E-mail : bmignolet@ulg.ac.be
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