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| CHIM0642-1 | Molecular dynamics and photochemistry
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| Duration : | 30h Th |
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| Lecturer : | Bernard Leyh |
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Language(s) of instruction :
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| French language |
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Organisation and examination :
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| Teaching in the second semester |
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Course contents :
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| The following topics will be critically presented:
1. Molecular dynamics: 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: 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. |
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Learning outcomes of the course :
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| 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. |
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Prerequisites and co-requisites/ Recommended optional programme components :
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| Basic aspects of general, physical and organic chemistry taught at the bachelor level |
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Planned learning activities and teaching methods :
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| No laboratory work is organized for this course |
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Mode of delivery (face-to-face ; distance-learning) :
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| 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. |
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Recommended or required readings :
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| 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). 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. |
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Assessment methods and criteria :
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| Oral examination |
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Work placement(s) :
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Organizational remarks :
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Contacts :
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| 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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| Items online : |
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| Papers for the oral examination |
| Papers for the oral examination |
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| Lecture notes and powerpoint slides |
| Molecular dynamics and photochemistry |
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