SubjectsSubjects(version: 950)
Course, academic year 2019/2020
Molecular Spectroscopy - AP402020
Title: Molecular Spectroscopy
Guaranteed by: Department of Analytical Chemistry (402)
Faculty: Faculty of Chemical Engineering
Actual: from 2019
Semester: summer
Points: summer s.:0
E-Credits: summer s.:0
Examination process: summer s.:
Hours per week, examination: summer s.:2/1, other [HT]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Teaching methods: full-time
For type: doctoral
Note: course is intended for doctoral students only
can be fulfilled in the future
Guarantor: Urban Štěpán prof. RNDr. CSc.
Interchangeability : P402020
Examination dates   Schedule   
Annotation -
Last update: Pátková Vlasta (16.11.2018)
The lecture provides a unified theoretical basis for molecular spectroscopy methods such as rotational, vibrational, electron spectroscopy, NMR, ESCA and so on. In addition to the theoretical basis, the fundamentals of the experiment from classical to state-of-the-art measuring techniques are discussed.
Literature -
Last update: Pátková Vlasta (16.11.2018)

A: W. Gordy, R.L. Cook, Microwave Molecular Spectra, John Wiley and Sons, New York, 1976

A: H. Kroto, Molecular Rotation Spectra, John Wiley and Sons, New York, 1992

A: M. Hollas, Modern Spectroscopy (4th Ed.), John Wiley and Sons, Chichester, 2004

A: G. Gauglitz, T. Vo-Dinh, Editors, Handbook of Spectroscopy, John Wiley and Sons, Weinheim, 2003

A: J. Laane,Frontiers of Molecular Spectroscopy, Ed., Elsevier, Amsterdam, 2009

Teaching methods -
Last update: Pátková Vlasta (16.11.2018)

Lectures and exercises.

Syllabus -
Last update: Pátková Vlasta (16.11.2018)

1. Introduction. Division of spectroscopy according to quantum mechanical model, spectral range and experimental technique.

2. The population of quantum states. Einstein's theory of spectral transitions. Spontaneous and induced emission, induced absorption, half-life time. Planck's law.

3. Radiation transition equation and its special cases. Theoretical principles of quantitative analysis. Beer´s and Lambert's law.

4. Principles of the experiment in molecular spectroscopy.

5. Sources of radiation, detectors, optical materials and other elements of spectroscopic instruments. Preparation of samples in the laboratory for different types of spectroscopy, in situ preparation of samples (geological, biological samples and environmental samples).

6. Molecular spectroscopy, a common theoretical basis. Born-Oppenheimer approximation.

7. Microwave spectroscopy. Rotation spectra and structure of molecules. Types of molecules by components of the moment of inertia.

8. Vibration spectroscopy. Normal coordinates and symmetry coordinates.

9. Chemical applications of IR and Raman spectroscopy. Characteristic vibrations. Analytical applications, mobile spectrometers.

10. Application of group theory in spectroscopy.

11. NMR and ESR spectroscopy. Principles of quantum chemistry. Electronic energy levels, types of transitions. Electronic spectroscopy.

12. Qualitative and quantitative analysis. Gamma spectrometry. X-ray and gamma spectrometry in the analysis of geological samples, measurements with mobile spectrometers.

13. Photoelectron spectroscopy (UPS, XPS, ESCA). Application of photoelectron spectroscopy for the analysis of surfaces, rocks and biomaterials. Moesbauer spectrometry.

14. Advanced applications of spectroscopy

Registration requirements -
Last update: Pátková Vlasta (16.11.2018)

University knowledge of linear algebra, calculus, fundamentals of quantum and classical mechanics.

(Recommended: Introduction to Molecular Physical Chemistry and Symmetry)

Course completion requirements -
Last update: Pátková Vlasta (16.11.2018)