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CHIM-F304
Structures et symétries moléculaires
Course teacher(s)
Emilie CAUET (Coordinator), Antoine Aerts and Sophie BauduinECTS credits
5
Language(s) of instruction
french
Course content
Electronic structure of atoms (spin and orbital angular momenta, electronic configurations and states, spin-orbit coupling). Molecular structures (Born-Oppenheimer approximation, potential energy surfaces and reactivity). Molecular symmetries and symmetry groups Theory. LCAO theory of molecular orbitals (diatomic and polyatomic molecules, Hückel's theory of conjugated systems, organic molecules and polymers). Nuclear degrees of freedom (separation of motions and energy levels). Molecular rotation (rigid rotor and nonrigid molecules). Molecular vibration (Harmonic oscillator model, normal modes and anharmonicity).
Objectives (and/or specific learning outcomes)
Build the quantum structure of electronic systems, from the simplest atoms up to complex molecules. Link the theoretical concepts with the other matters and teachings of the Chemistry cursus (organic and inorganic chemistry, biochemistry, polymer and solid state chemistry). Provide the pre-requisites of Master courses (Spectroscopy, kinetics, quantum reactivity, computational chemistry, group theory applications,...)
Prerequisites and Corequisites
Cours co-requis
Teaching methods and learning activities
Oral teaching ("ex cathedra") using the support slides and black board, interfacing with the Virtual University. Copies of slides and complements provided to the students.
References, bibliography, and recommended reading
- Mc Quarrie and Simon, "Physical Chemistry, a Molecular Approach", University Science Books (1997). - Atkins and de Paula, "Physical Chemistry", Oxford University Press (2006). - Gill, "Orbitals in Chemistry, Cambridge (2000).
Course notes
- Université virtuelle
Other information
Contacts
Campus Solbosch, Bâtiment D 7e niveau, DC7.222
Emilie Cauët
ecauet@ulb.ac.be
+32.2.650.24.14
Campus
Solbosch
Evaluation
Method(s) of evaluation
- Oral examination
Oral examination
Oral examination
Language(s) of evaluation
- french