Theoretical Spectroscopy

This course aims to deepen and complete the knowledge acquired from a theoretical point of view in
spectroscopy by the students during their undergraduate studies.

Hourly volumes* :

CM : 15

TD : 9

Targeted Skills:

- rationalize atomic and molecular electronic spectra

- rationalize rovibrational and molecular NMR spectra

Basics of quantum mechanics (simple systems: infinite potential well, rigid rotator, harmonic oscillator; methods for solving the Schrödinger equation; perturbation theory; orbital approximation) and basics of statistical physics.

Written final test

1. Introduction to spectroscopies - generalities
2. a) Matter-Radiation Interaction
3. b) Absorption/Emission (microscopic)
4. c) The Thermal Equilibrium
5. Atomic Spectroscopy
6. a) Reminders of Quantum Mechanics
7. b) The Kinetic Moment
8. c) Addition of 2 Kinetic Moments
9. d) Spin-Orbit Coupling
10. e) Spectroscopic terms
11. f) Hund's rules
12. g) Atomic spectra
13. Vibration-Rotation of Molecules
14. a) Diatomic molecule
15. b) Polyatomic vibration
16. c) Polyatomic rotation
17. Electronic Molecular Spectroscopy
18. a) Molecular Orbitals-Electronic Configurations
19. b) Electronic Terms
20. c) Vibronic transitions
21. d) Photochemistry elements
22. NMR and EPR spectroscopy
23. a) Effective spin Hamiltonian
24. b) Shielding tensor, dia- and paramagnetic contributions
25. c) Spin-spin coupling

Selection rules

Administrative contact(s):

Secretariat Master Chemistry

https://master-chimie.edu.umontpellier.fr/