Theoretical Spectroscopy

This course is designed to deepen and expand the theoretical knowledge students acquired in the areas of
spectroscopy during their bachelor’s degree program.

Hourly volumes*:

CM: 15

TD: 9

Target Skills:

- to rationalize atomic and molecular electronic spectra

- rationalize rovibrational and molecular NMR spectra

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

Final Written Exam

1. Introduction to Spectroscopy – Overview
2. a) Matter-Radiation Interaction
3. b) Absorption/Emission (microscopic)
4. c) Thermal Equilibrium
5. Atomic Spectroscopy
6. a) Review of Quantum Mechanics
7. b) Angular Momentum
8. c) Addition of 2 Angular Momenta
9. d) Spin-Orbit Coupling
10. e) Spectroscopic Terms
11. f) Hund's Rules
12. g) Atomic Spectra
13. Vibration and 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, diamagnetic and paramagnetic contributions
25. (c) Spin-spin coupling

Selection Criteria

Administrative contact(s):

Master's in Chemistry Office

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