6.00 credits
45.0 h + 22.5 h
Q2
Teacher(s)
de Wergifosse Marc;
Language
French
Main themes
The course focuses on the understanding, using first principles of physics, of the electronic behavior of atoms and molecules and its link to chemistry. It also addresses the understanding of atomic motions in molecules (rotations, vibrations).
To do this, the course includes a presentation of the necessary basics of quantum mechanics for the chemist.
To do this, the course includes a presentation of the necessary basics of quantum mechanics for the chemist.
Learning outcomes
At the end of this learning unit, the student is able to : | |
| 1 | The course, intended for chemistry students, gives an introduction to the microscopic aspects of the atomic and molecular world. It introduces concepts such as the electronic structure of atoms and molecules, the geometrical structure of molecules as well as the molecular movements, with the idea of relating these concepts to molecular properties and chemical reactivity. Special attention will be given to the discrete character of energy levels, to their significance, to the way they are calculated as well as to the description of individual molecules. The course serves as an introduction to molecular spectroscopy, to statistical thermodynamics and to quantum chemistry. It introduces terminology and concepts needed in organic and inorganic chemistry. |
Content
- Elements of quantum mechanics : History, foundations, basic concepts, postulates and operators in quantum mechanics, resolution of simple systems. Schrodinger equation.
- Hydrogen atom.
- Approximate methods (variation theorem and perturbative approaches).
- He atoms and other multi-electronic atoms. Notion of spin, indistinguishability and anti-symmetry.
- Hartree-Fock equations.
- Born-Oppenheimer approximation. Diatomic and polyatomic molecules. Theory of molecular orbitals.
- Quantum approach of vibrations and rotations in diatomic and polyatomic molecules.
- Interaction of light with molecules and atoms. Selection rules.
- Hydrogen atom.
- Approximate methods (variation theorem and perturbative approaches).
- He atoms and other multi-electronic atoms. Notion of spin, indistinguishability and anti-symmetry.
- Hartree-Fock equations.
- Born-Oppenheimer approximation. Diatomic and polyatomic molecules. Theory of molecular orbitals.
- Quantum approach of vibrations and rotations in diatomic and polyatomic molecules.
- Interaction of light with molecules and atoms. Selection rules.
Teaching methods
Ex cathedra lectures and optional question/answer sessions, and exercice sessions.
Evaluation methods
A test on exercies will be organized at half of the cirriculum. It will count for 10% of the final rating.
Students will be evaluated by an exam (90% of the final rating) in two parts: written without access to support and oral.
Students will be evaluated by an exam (90% of the final rating) in two parts: written without access to support and oral.
Online resources
Teaching materials
- slides (disponibles sur moodle)
- chapitres du livre Mac Quarrie (disponibles sur moodle)
Faculty or entity
CHIM
Programmes / formations proposant cette unité d'enseignement (UE)
Title of the programme
Sigle
Credits
Prerequisites
Learning outcomes
Bachelor in Chemistry
