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Lecturer(s)
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Kimmel Roman, Ing. Ph.D.
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Rouchal Michal, doc. Ing. Ph.D.
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Vícha Robert, doc. Mgr. Ph.D.
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Course content
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- Introduction: electromagnetic radiation, energy processes at the submolecular level, division of methods and basic concepts. - Microwave spectra, Raman spectroscopy. - Infrared spectroscopy. - UV-Vis spectroscopy, Jablonsky diagram, fluorescence, phosphorescence. - Mass spectrometry - physical essence, instrumentation (ion sources, detectors). - Mass spectrometry - interpretation of spectra, calculation of the total formula from a molecular cluster, stable and metastable ions. - Electron paramagnetic resonance. - Nuclear magnetic resonance (NMR) - physical nature, instrumentation, relationship between structure and spectrum. - NMR - number of signals, chemical shift. - NMR - signal intensity, multiplicity. - NMR - nOe, multidimensional techniques. - Optical properties of substances: refractive index, optical activity, polarimetry, circular dichroism. - X-ray structural analysis, single crystal and powder methods. - Structural analysis of unknown substances, complex practical exercises.
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Learning activities and teaching methods
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Monologic (Exposition, lecture, briefing), Simple experiments, Practice exercises
- Preparation for examination
- 120 hours per semester
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| learning outcomes |
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| Knowledge |
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| The student can describe and explain the basic principles of UV-Vis, IR, NMR and MS spectroscopic methods. |
| The student can describe and explain the basic principles of UV-Vis, IR, NMR and MS spectroscopic methods. |
| The student can assign spectral responses to structural motifs (mainly, but not only) of organic compounds. |
| The student can assign spectral responses to structural motifs (mainly, but not only) of organic compounds. |
| The student knows the basic aspects of the practical use of spectrometers. |
| The student knows the basic aspects of the practical use of spectrometers. |
| Based on data from NMR, IR and MS, the student can determine the structure of an organic compound, typically up to 250 g/mol. |
| Based on data from NMR, IR and MS, the student can determine the structure of an organic compound, typically up to 250 g/mol. |
| Skills |
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| The student can use EI-MS for the identification and qualitative determination of organic compounds. |
| The student can use EI-MS for the identification and qualitative determination of organic compounds. |
| The student can use 1H NMR for the quantitative determination of substances in solution. |
| The student can use 1H NMR for the quantitative determination of substances in solution. |
| The student can measure the infrared spectrum using KBr tablets for transmission and foil for reflection. |
| The student can measure the infrared spectrum using KBr tablets for transmission and foil for reflection. |
| teaching methods |
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| Knowledge |
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| Monologic (Exposition, lecture, briefing) |
| Monologic (Exposition, lecture, briefing) |
| Dialogic (Discussion, conversation, brainstorming) |
| Dialogic (Discussion, conversation, brainstorming) |
| Skills |
|---|
| Simple experiments |
| Simple experiments |
| Practice exercises |
| Practice exercises |
| assessment methods |
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| Knowledge |
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| Written examination |
| Analysis of seminar paper |
| Analysis of seminar paper |
| Analysis of works made by the student (Technical products) |
| Analysis of works made by the student (Technical products) |
| Written examination |
| Oral examination |
| Oral examination |
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Recommended literature
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CREWS, P., RODRIGUEZ, J. Organic Structure Analysis. Oxford University Press, 2009. ISBN 978-0195336047.
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FIELD, L.D., LI, H.L., MAGILL, A.M. Instructor's Guide and Solutions Manual to Organic Structures from 2D NMR Spectra. John Wiley & Sons Inc, 2015. ISBN 978-1119027256.
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JACOBSEN, N.E. NMR Data Interpretation Explained: Understanding 1D and 2D NMR Spectra of Organic Compounds and Natural Products. 1st Ed.. Hoboken, New Jersey: John Wiley & Sons, Inc., 2016. ISBN 978-1118370223.
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LARKIN, P. Infrared and Raman Spectroscopy: Principles and Spectral Interpretation.. Elsevier, 2011. ISBN 978-0123869845.
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Martin Dračínský. NMR spektroskopie pro chemiky. Praha, 2021. ISBN 978-80-7444-085-4.
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McLaferty F. W., Tureček F. Interpretation of mass spectra. Sausalito, University Science Books , 1993. ISBN 0-935702-25-3.
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Milata, V., Segľa, P. Spektrálne metódy v chémii, STU Bratilava, 2004, ISBN 80 227 2049 6.
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Silverstein, R. M., Webster, F. X., Kiemle, D. Spectrometric Identification of Organic Compounds, John Wiley & Sons, 2005, ISBN 0-471-39362-2.
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STUART, B.H. Infrared Spectroscopy: Fundamentals and Applications. John Wiley & Sons Inc, 2004. ISBN 0-470-85427-8.
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