Students will be able to:

Describe the structure of molecules at the static level of equilibrium nuclei positions, electron structure and dynamic description considering vibrational and rotational states.

Explain the fundamental concepts of molecular symmetry.

Apply the concept of point group symmetry on the explanation of structure and properties of molecules.

Explain the fundamentals of techniques suitable for molecular structure ellucidation.

It is compulsory to pass a written test and final oral examination.

Z:Handbook of Spectroscopy, Editor(s): Prof. Dr. Guenter Gauglitz, Prof. Dr. Tuan Vo-Dinh, Wiley-VCH 2003, Print ISBN: 9783527297825 Online ISBN: 9783527602308 DOI: 10.1002/3527602305

Z: P.R. Bunker, P. Jensen: Fundamentals of Molecular Symmetry, IOP Publishing, 2004, ISBN 0750309415

D: P. W. Atkins: Physical Chemistry, Oxford University press, 2006, ISBN 1-4292-3127-0

R: Handbook of Spectroscopy, Editor(s): Prof. Dr. Guenter Gauglitz, Prof. Dr. Tuan Vo-Dinh, Wiley-VCH 2003, Print ISBN: 9783527297825 Online ISBN: 9783527602308 DOI: 10.1002/3527602305

R: P.R. Bunker, P. Jensen: Fundamentals of Molecular Symmetry, IOP Publishing, 2004, ISBN 0750309415

A: P. W. Atkins: Physical Chemistry, Oxford University Press, 2006, ISBN 1-4292-3127-0

1. Molekulová symetrie: principy teorie grup.

2. Molekulová symetrie: bodové grupy.

3. Molekulová symetrie: maticová reprezentace grup, irreducibilní reprezentace.

4. Molekulová symetrie: symetrie orbitalů.

5. Úvod ke spektroskopii: typy spekter, moment přechodu, rozptylová (Ramanova) spektra.

6. Rotační spektra: výběrová pravidla, výpočet geometrie molekul, Starkův jev.

7. Vibrační spektra biatomických molekul: výběrová pravidla, vibračně-rotační interakce, anharmonické vibrace.

8. Vibrační spektra obecných molekul: FG-analýza.

9. Symetrie normálních vibračních modů.

10. Elektronová optická spektra: výběrová pravidla, Franckův-Condonův princip.

11. Roentgenová spektra, fotoelektronová spektroskopie.

12. Zeemanův jev, ESR.

13. NMR, stínicí efekt, chemický posuv, spin-spinové interakce.

14. NMR, pulzní sekvence, vícedimenzionální experimenty a spektra.

1. Molecular symmetry: principles of the group theory.

2. Molecular symmetry: point groups.

3. Molecular symmetry: matrix representation of a group, irreducible representations.

4. Molecular symmetry: symmetry of orbitals.

5. Introduction to spectroscopy: types of spectra, transition moment, scattering (Raman) spectra.

6. Rotational spectra: selection rules, calculations of molecular geometry, the Stark effect.

7. Vibrational spectra of diatomic molecules: selection rules, vibrational-rotational interactions, anharmonical vibrations.

8. Vibrational spectra of general molecules: FG-analysis.

9. Symmetry of normal vibrations.

10. Electronic spectra: selection rules, Franck-Condon principle.

11. X-ray spectra, photoelectron spectroscopy.

12. The Zeeman effect, ESR.

13. NMR, the shielding effect, chemical shift, spin-spin interaction.

14. NMR, pulse sequences, multidimensional experiments and spectra.