PřF:C5030 Chemical Structure-sem. - Course Information
C5030 Chemical Structure-sem.
Faculty of ScienceAutumn 2014
- Extent and Intensity
- 0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
- Teacher(s)
- doc. RNDr. Pavel Brož, Ph.D. (seminar tutor)
- Guaranteed by
- doc. RNDr. Pavel Brož, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science - Timetable
- Mon 16:00–16:50 C12/311
- Prerequisites
- ( C3401 Physical Chemistry I && C4402 Physical Chemistry II )||( C3140 Physical Chemistry I && C4020 Advanced Physical Chemistry )|| C4660 Basic Physical Chemistry && NOW ( C5020 Chemical Structure )
Contemporaly hearing of the lecture Chemical Structure (C5020). - Course Enrolment Limitations
- The course is also offered to the students of the fields other than those the course is directly associated with.
- fields of study / plans the course is directly associated with
- Analytical Chemistry (programme PřF, N-CH)
- Inorganic Chemistry (programme PřF, N-CH)
- Physical Chemistry (programme PřF, N-CH)
- Environmental Chemistry (programme PřF, N-CH)
- Organic Chemistry (programme PřF, N-CH)
- Course objectives
- Practical exercises from the topics of the lecture Chemical structure (C5020). Students will utilize the gained information from spectroscopic methods (mass spectrometry, diffraction analysis, IR spectrometry, NMR etc.) for identification of chemical structure and will be able to propose an adequate procedure for study of chemical substances and to interpret the gained data.
- Syllabus
- 1. Electron difffraction and rtg. irradiation. Electrons as particles and irradiation. Quantum numbers. Diffraction on the set of planes (Huygens and Ewald constructions). Direct and reciprocal lattice. Interference (Laue and Bragg method). Radial distribution function. 2. Absorption of electrons and gamma irradiation. Mass spectrometry (ionization methods, resolution, detection, group of molecular peaks, main types of fragmentation). Moessbauer spectroscopy (isotopic shift. quadrupolar splitting). 3. Photoelectron spectroscopy. Absorption of rtg. photon (XPS, ESCA), absorption of electrons (Auger) and UV quanta (UPS). Rtg. fluorescence. 4. Absorption of UV and visible light. Electron spectroscopy (Franck-Condom principle). Vibration and rotation structure of energy diagrams. Thermal relaxation, fluorescence, phosphorescence (types of electron transitions, particle in one-dimensional potential well, chromophores, auxochromes, external and internal effects on shifts of absorption lines. Use of electron spectroscopy in structural and quantitative analysis (Lambert-Beer law). 5. Molecules in electric field (polarizability, induced and permanent dipole moment, permittivity of dielectricum). Induced and orientation polarization. Clasius-Mossoti and Debye equations. Dipole moments (Halverstadt-Kumler and Gugenheim-Smith methods). Index of refraction and molar refraction. 6. Electrons in electric field of light wave. Rayleigh and Raman dispersion. Raman spectroscopy (anisotropy of polarizability, depolarization, Stokes and anti-Stokes transitions, vibration and rotational Raman spectra). 7. Absorption of IR an MW irradiation. IR vibrations (harmonic and anharmonic oscillator, energy on vibration levels, types of normal vibrations). Transfers among vibration energy levels. NIR in qualitative and quantitative analysis. Vibration-rotation and rotation spectra (elastic and non-elastic rotor, rotation-distortion constant). 8. Transfer of the light through material. Diffraction of light (Snellius law). Measurement of index of diffraction, its dependence on wavelength and density. Effect of the electric field (Kerr effect, Kerr factor, Kerr constant and its use in structural analysis). 9. Optical activity. Specific rotation, dependence on wavelength, Drude equation, Cotton effect, optical rotation dispersion, circular dichroism. Optical rotation and structure (absolute value, octant rule). 10. Molecules in magnetic field. Magnetic induction, magnetization, anisotropy of magnetic susceptibility. Dielectrics, paramagnetics, ferromagnetics (Curie law, Weiss correction, Curie temperature). 11. Electron paramagnetic resonance spectroscopy. Electron in magnetic field, resonance condition, Lande g-factor, hyperfine splitting, multiplicity of signals. 12. Nuclear magnetic resonance spectroscopy. Nuclei in magnetic field, nuclear spin, quantum numbers, condition of resonance, coupling constant (substitution, sterical and solvatation components).Coupling constant, stepwise reduction of spin multiplets. Number of NMR signals and symmetry of molecule. Intensity of signals and its use in quantitative analysis.
- Literature
- ATKINS, P. W. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, xvi, 1014. ISBN 0198501013. info
- Teaching methods
- Computing seminar in the field of spectroscopic methods for identification of chemical structure with practical outputs.
- Assessment methods
- Participation in the seminar is necessary for gaining the credit. Furthermore, successful solution of at least half of the examples from the final test is required.
- Language of instruction
- Czech
- Follow-Up Courses
- Further comments (probably available only in Czech)
- The course can also be completed outside the examination period.
The course is taught annually.
- Enrolment Statistics (Autumn 2014, recent)
- Permalink: https://is.muni.cz/course/sci/autumn2014/C5030