PřF:C5060 Methods of Chemical Research I - Course Information

C5060 Methods of Chemical Research I.

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Miroslav Holík, CSc. (lecturer)
RNDr. Aleš Kroupa, CSc. (lecturer)
doc. RNDr. Pavel Kubáček, CSc. (lecturer)
doc. RNDr. Jaromír Marek, Ph.D. (lecturer)
prof. Mgr. Jan Preisler, Ph.D. (lecturer)
doc. RNDr. Jiří Toužín, CSc. (lecturer)
prof. RNDr. Libuše Trnková, CSc. (lecturer)
prof. RNDr. Michaela Vorlíčková, DrSc. (lecturer)
prof. RNDr. Zdirad Žák, CSc. (lecturer)

Guaranteed by

doc. RNDr. Pavel Kubáček, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Miroslav Holík, CSc.

Timetable

Tue 11:00–12:50 C12/311

Prerequisites

Passing out lectures C4660 and C4020.
Parallel hearing of the lectures from Chemical Structure recommended.

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

there are 10 fields of study the course is directly associated with, display

Course objectives

By the end of the course, students should be able to understand principle and basic applications of the following methods.
Electron microscopy. Symmetry of molecules. X-ray structural analysis. Protein crystallography. Raman and IR spectroscopy. NIR spectroscopy. Cyclic voltammetry. Optical rotation (ORD, CD) in structural analysis. Electron paramagnetic resonance. Luminescence.

Syllabus

• 1. Electron microscopy
• Interaction of electrons with solid phase. Electro microscope (electromagnetic lenses, electron jet, vacuum system), building of the picture, creation of contrast. Diffraction on singlecrystal and polycrystal. Sample preparation etching.
  2. Roentgen diffraction
• Elementary crystallography symmetry of the structure, space group symmetry, diffraction of Roentgen radiation, structural factor. Basis of structural analysis data collection, data reduction, phase problem and its solution, improvement of the structural model, structure evaluation.
  3. Crystallography of proteins
• Macromolecular techniques of crystallization, methods of sitting and hanging drop, seedings. Diffraction experiment:sources of X-ray, detectors, cryo-crystallography. Methods of solving phase problem in proteins. Method of molecular replacement. Methods of heavy atom derivatives (SIR, MIR, MIRAS), MAD and Se-proteins. Maps of electron density. Building of structural model and model refinement.
  4. Fluorescence spectroscopy
• Fluorescence and other luminescence methods, life time, quantum yield. Fluorescence intensity. Switch-out and selfquenching. Excitation and emission spectra. Quasiline fluorescence and fluorescence in solid phase. Spectrometer and measurement procedure.
  5. Techniques of Raman spectroscopy.
• Elastic and non-elastic dispersion of irradiation (Rayleigh, Stokes and anti-Stokes lines); selection rules - polarisability and transition integral, polarization of Raman lines; electronic, resonance and surface enhanced Raman effects; nonlinear effects – stimulated-, inverse-, hyper-Raman effects, coherent anti-Stokes Raman spectroscopy.
  6. Methods of IR spectroscopy
• Origin of IR bands, selection rules – dipole moment and transition integral; basic and overtones, combination lines; experimental technique of IR spectroscopy, materials and solvents used, sample preparation. Application in qualitative, structural, and quantitative analysis, study of binding characteristics (bond order and strength).
  7. Near-infrared spectroscopy
• NIR as a method without sample preparation: low sensitivity and low resolution. Mathematic methods for qualitative and quantitative analysis. Industrial analytic transfer of signal by glass fiber. Quality control at automatic production.
  8. Circular bichroism
• Absorption of irradiation in monomers and polymers; absorption in nucleic acids. Advantages end disadvantages of the method. Vibration circular bichroism and linear bichroism.
  9. Modern electrochemical methods: fundamentals and applications Electrode system and electrode reaction. Voltammetry and coulometry. Potentiostatic and galvanostatic regime. Trends and hyphenated methods.
  10. EPR nature of the method
• Electron Paramagnetic Resonance method for study of systems with non-zero electron spin. Nature of the effect, experimental method, and characteristics of EPR signals hyperfine structure.
  11. EPR in structural analysis
• Use of EPR in structural and analytical chemistry.
  12. Symmetry of molecules
• Elements and operations of point symmetry. Applications of symmetry in chemistry.

Literature

• Toužín, Jiří-Příhoda, Jiří. Spektrální a magnetické metody studia anorganických sloučenin. 1.vyd.Praha:Státní pedagogické nakladatelství, 1986

Assessment methods

The two-hour lectures will be given by internal or external specialist in the respective areas.
The final examination has a written form.

Language of instruction

Czech

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

• Enrolment Statistics (Autumn 2008, recent)
  
• Permalink: https://is.muni.cz/course/sci/autumn2008/C5060