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Spectra and structure of molecules

Class at Faculty of Mathematics and Physics |
NBCM240

Syllabus

1. Introduction, absorption and emission of radiation, line shape

2. Symmetry of molecules, symmetry operators, point groups

3. Matrix representation, reducible and irreducible representations, character tables

4. Group theory in quantum mechanics, symmetry of the Hamiltonian, use of symmetry in calculation of selection rules and overlap integrals.

5. Atomic spectroscopy, hydrogen atom, multielectron systems, selection rules and transition intensities

6. Pure rotational spectroscopy, rigid and non-rigid rotor, diatomic molecules, symmetric and asymmetric tops, selection rules

7. Vibration of molecules, diatomic and polyatomic molecules, normal modes and their symmetry

8. Vibration-rotation transitions, selection rules and intensities of transitions

9. Electronic spectra of diatomic molecules, vibrational and rotational structure

10. Singlet transitions - Singlet and non-Singlet transitions, Hund's cases

11. Symmetry of energy levels of diatomic molecules, parity e / f, gerade / ungerade, nuclear spin degeneration, s / a parity, line intensities

12. Electronic spectra of polyatomic molecules, molecular orbital, Huckel's theory of MO, vibrational structure, Jahn-Teller and Renner-Teller effect, transition intensities

Annotation

The lecture describes and explains the influence of molecular structure and symmetry on the observed absorption or emission spectra. The rotational, vibrational and electronic spectra of diatomic and polyatomic molecules will be discussed, from the basics to the advanced parts including spin-orbital interaction and hyperfine structure. The course is aimed primarily at students of theoretical disciplines, but can also be useful for researchers / doctoral students with an experimental focus in the field of molecular spectroscopy.

Intended for physics students, especially in the 1st year o