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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. Part of the teaching are laboratory tasks - Nuclear magnetic resonance spectroscopy (NMR), Raman spectroscopy of the samples in the solid phase, including natural material, Infrared spectrometry of the samples in the solid phase with the use of reflective techniques and mass spectrometry.
Last update: VED402 (03.10.2013)
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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: VED402 (03.10.2013)
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1. Introduction. Population of quantum states. Einstein theory of spectral transitions. Planck law. 2. Equation of radiation tranfer and its special cases. Theoretical priciples of kvantitative analysis. 3. Theory of spectroscopic experiment and basic principles of experimental spectroscopy. 4. Radiation sources, detectors, optical materials and other elements of spectrospy instruments. 5. Molecular spectroscopy, common theoretical background. Born-Oppenheimer aproximation 6. Microwave spectroscopy. Rotational spectroscopy and structure of molecules. 7. Vibration spectroscopy. Cartesian coordinates and symetry coordinates 8. Chemical aplication of IR and Raman spectroscopy. Analytical aplications 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: TAJ402 (15.04.2010)
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Materials in electronic form are available during instruction. Last update: VED402 (03.10.2013)
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Students will be able: To describe and to explain the principles of the method of mMolecular 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: VED402 (03.10.2013)
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Physics, Mathematics, Inorganic Chemistry and Physical Chemistry.
Last update: VED402 (03.10.2013)
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| Teaching methods | ||||
| Activity | Credits | Hours | ||
| Konzultace s vyučujícími | 0.5 | 14 | ||
| Účast v laboratořích (na exkurzi nebo praxi) | 1 | 28 | ||
| Účast na přednáškách | 1 | 28 | ||
| Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi | 1.5 | 42 | ||
| Příprava na zkoušku a její absolvování | 1.5 | 42 | ||
| Účast na seminářích | 0.5 | 14 | ||
| 6 / 6 | 168 / 168 | |||
| Coursework assessment | |
| Form | Significance |
| Regular attendance | 10 |
| Report from individual projects | 25 |
| Oral examination | 65 |