Theoretical Spectroscopy

This course aims to deepen and supplement the theoretical knowledge acquired by students in spectroscopy during their bachelor's degree.

Hourly volumes:

CM: 15

TD: 9

Targeted skills:

- rationalize atomic and molecular electronic spectra

- rationalize vibrational and molecular NMR spectra

Fundamentals of quantum mechanics (simple systems: infinite potential wells, rigid rotors, harmonic oscillators; methods for solving the Schrödinger equation; perturbation theory; orbital approximation) and fundamentals of statistical physics.

Written terminal exam

1. Introduction to Spectroscopy – General Information
2. a) Matter-Radiation Interaction
3. b) Absorption/Emission (microscopic)
4. c) Thermal Balance
5. Atomic Spectroscopy
6. a) Reminders of Quantum Mechanics
7. b) Kinetic Momentum
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) Vibration of Polyatomic Molecules
16. c) Rotation of Polyatomic Molecules
17. Molecular Electronic Spectroscopy
18. a) Molecular Orbitals—Electronic Configurations
19. b) Electronic Terms
20. c) Vibronic Transitions
21. d) Elements of 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):

Master's Program in Chemistry Secretariat

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