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A review of methods of Molecular Spectroscopy is presented from the perspective of the experiment and theory. This is based on the principle of quantum mechanics and the same formalism is used for rotational, vibrational and electronic spectroscopy. Quantitative spectroscopic analysis is derived from the equation of radiation transfer and limits of validity of Lambert-Beerova of law are discussed. Part of it is the application of group theory. Attention is paid to the preparation of samples for different types of spectroscopy, with emphasis on the differences between samples with different origin (geological, biological, and environmental) and methods of work with portable spectrometers in the terrain and techniques of long-distance detection of molecules. In the seminar, the principles and examples of molecular symmetry and spin weights from the Pauli principle are practiced.
Last update: Setnička Vladimír (14.08.2019)
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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 A:Frontiers of Molecular Spectroscopy, Edited by: Jaan Laane, Elsevier 2008, ISBN 9780444531759, http://www.sciencedirect.com/science/book/9780444531759 Last update: Pátková Vlasta (05.01.2018)
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1. Introduction. Population of quantum states. Einstein theory of spectral transitions. Planck law. 2. Equation of radiation transfer and its special cases. Theoretical principles of quantitative analysis. 3. Theory of spectroscopic experiment and basic principles of experimental spectroscopy. 4. Radiation sources, detectors, optical materials and other elements of spectroscopy instruments. 5. Molecular spectroscopy, common theoretical background. Born-Oppenheimer approximation. 6. Microwave spectroscopy. Rotational spectroscopy and structure of molecules. 7. Vibration spectroscopy. Cartesian coordinates and symmetry coordinates. 8. Chemical application of IR and Raman spectroscopy. Analytical applications. 9. Application of group theory in spectroscopy. 10. NMR and ESR spectroscopy. 11. Quantum chemistry principles. Energy levels of electrons. Transitions types. 12. Electronic spectroscopy. Qualitative and quantitative analysis. 13. Photoelectron spectroscopy (UPS, XPS, ESCA). 14. Advanced spectroscopy applications. Last update: Záruba Kamil (29.07.2019)
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Materials in electronic form are available during instruction. Last update: Pátková Vlasta (05.01.2018)
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Students will be able: To describe and to explain the principles of the method of molecular spectroscopy on the basis of quantum mechanics. To discuss the validity of Lambert-Beerova law with regard to the basic physical principles. To apply the basic principles of group theory in spectroscopy. To describe methodological procedures for samples of different origin and in different phase including in-situ spectroscopy and methods for long-distance detection. Last update: Záruba Kamil (29.07.2019)
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Physics, Mathematics, Inorganic Chemistry and Physical Chemistry.
Last update: Pátková Vlasta (05.01.2018)
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| Teaching methods | ||||
| Activity | Credits | Hours | ||
| Konzultace s vyučujícími | 0.5 | 14 | ||
| Účast na přednáškách | 1 | 28 | ||
| Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi | 0.5 | 14 | ||
| Příprava na zkoušku a její absolvování | 1 | 28 | ||
| 3 / 4 | 84 / 112 | |||
| Coursework assessment | |
| Form | Significance |
| Oral examination | 100 |