Elements of physical molecular chemistry

lchm1252  2020-2021  Louvain-la-Neuve

Elements of physical molecular chemistry
Due to the COVID-19 crisis, the information below is subject to change, in particular that concerning the teaching mode (presential, distance or in a comodal or hybrid format).
6 credits
45.0 h + 22.5 h
Q2
Teacher(s)
Gonze Xavier (compensates Hautier Geoffroy); Hautier Geoffroy;
Language
French
Aims

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.
Teaching methods

Due to the COVID-19 crisis, the information in this section is particularly likely to change.

Ex cathedra lectures and exercice sessions. Due to the limited capacity of auditoria this year (COVID-19 crisis), some classes or exercices could be given remotey or co-modally.
Evaluation methods

Due to the COVID-19 crisis, the information in this section is particularly likely to change.

Students will be evaluated by an open book written exam. Due to the COVID-19 crisis, the evaluation may be done by distance.
Teaching materials
  • slides (disponibles sur moodle)
  • chapitres du livre Mac Quarrie (disponibles sur moodle)
Faculty or entity


Programmes / formations proposant cette unité d'enseignement (UE)

Title of the programme
Sigle
Credits
Prerequisites
Aims
Bachelor in Chemistry