Theoretical Spectroscopy

The aim of this course is to deepen and complement the theoretical knowledge acquired in
spectroscopy by students during their undergraduate studies.

Hourly volumes* :

CM: 15

TD : 9

Target 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 examination

1. Introduction to spectroscopies - general
2. a) Matter-radiation interaction
3. b) Absorption/Emission (microscopic)
4. c) Thermal balance
5. Atomic Spectroscopy
6. a) A reminder of quantum mechanics
7. b) 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. Molecular Vibration-Rotation
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
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/