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Course, academic year 2023/2024
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Spectra and structure of molecules - NBCM240
Title: Spektra a struktura molekul
Guaranteed by: Department of Chemical Physics and Optics (32-KCHFO)
Faculty: Faculty of Mathematics and Physics
Actual: from 2021
Semester: summer
E-Credits: 3
Hours per week, examination: summer s.:2/0, Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
Guarantor: doc. Ing. Lucie Augustovičová, Ph.D.
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
Last update: Kapsa Vojtěch, RNDr., CSc. (16.09.2021)
Aim of the course -

Demonstration of the influence of molecular symmetry on the spectra of molecules.

Last update: Augustovičová Lucie, doc. Ing., Ph.D. (16.09.2021)
Literature -

P. R. Bunker, P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed., Nrc Pubns, 1998.

G. Herzberg, Molecular Spectra and Molecular Structure: Spectra of Diatomic Molecules, 2nd ed. Krieger Pub Co, 1989.

Peter F. Bernath, Spectra of Atoms and Molecules , 2nd ed., Oxford University Press, N.Y., 1995.

Dušan Papoušek, Mamed R. Aliev: Molecular Vibrational-Rotational Spectra, Academia, Prague, 1982.

Last update: Augustovičová Lucie, doc. Ing., Ph.D. (16.09.2021)
Requirements to the exam -

The exam is oral and the requirements correspond to the syllabus of the subject in the range that was presented at the lecture.

Last update: Augustovičová Lucie, doc. Ing., Ph.D. (16.09.2021)
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

Last update: Augustovičová Lucie, doc. Ing., Ph.D. (16.09.2021)
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