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Lecturer(s)
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Šimůnek Petr, doc. Ing. Ph.D.
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Váňa Jiří, doc. Ing. Ph.D.
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Course content
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1st Week UV-vis spectroscopy. An introduction into the organic spectroscopy. Absorption of the electromagnetic radiation. Jablonski diagram. Fluorescence. Phosphorescence. 2nd Week Infrared spectroscopy. The principle, instrumentation, the methodology of the measurements, the kinds of the vibrations. IR spectra of the individual classes of the organic compounds: hydrocarbons, alkenes, aromatic hydrocarbons, alcohols, phenols, ethers, amines, carbonyl compounds, carboxylic acids and their derivatives. 3rd Week Infrared spectroscopy. Program IR Tutor, the interpretation and report of the spectra. 4th Week Infrared spectroscopy. Raman spectroscopy, advanced IR methods, the combination with quantum-chemical calculations. 5th week Mass spectrometry. The principle of the method, instrumentation, ionization techniques, detectors, fragmentations, rearrangements. The mass spectra of the individual classes of organic compounds: hydrocarbons, alkenes, aromatic hydrocarbons, alcohols, phenols, ethers, amines, carbonyl compounds, carboxylic acids and their derivatives. 6th Week Mass spectrometry. Isotopes, the index of insaturation, the interpretation and report of the spectra. 7th Week Mass spectrometry. Advanced MS experiments, MSn, dissociation energy, kinetic experiments, gas-phase reactions, the combination of MS with other analytical methods. 8th Week NMR spectroscopy. The principle of the method, instrumentation. The basic information in NMR spectrum. The chemical shift, integral intensity, the molecular symmetry-NMR spectrum relationships. NMR and the chirality. 9th Week NMR spectroscopy. The appearance of the multiplet and its relation to the molecular structure. Quantitative NMR analysis. 10th Week NMR spectroscopy. 1H NMR spectroscopy of the individual classes of organic compounds. The interpretation and report of the proton spectra. 11th Week. NMR spectroscopy. 13C NMR Spectroscopy, basic information, the methods of the measurement. Carbon-13 NMR spectroscopy of the individual classes of organic compounds. The interpretation and the report of 13C NMR spectra. 12th Week The combination of the spectral methods (UV-vis, MS, IR, NMR). The solution of the spectral problems using the combination of spectral methods. 13th Week The combination of the spectral methods (UV-vis, MS, IR, NMR). The solution of the spectral problems using the combination of spectral methods.
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Learning activities and teaching methods
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unspecified, Monologic (reading, lecture, briefing), Dialogic (discussion, interview, brainstorming), Work with text (with textbook, with book), Methods of individual activities
- Contact teaching
- 52 hours per semester
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Learning outcomes
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The aim of the subject is to give the students knowledge about the basic spectral techniques used in organic chemistry (IR, MS, NMR, UV-vis). The extent of the theory is chosen so that the student is capable single-handedly interpret the spectra of simpler organic compounds.
The ability to work autonomously, to find necessary information for the solution of the spectral problems, conscientiousness, analytic thinking, precision.
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Prerequisites
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Basic knowledge on general and organic chemistry.
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Assessment methods and criteria
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Oral examination, Written examination
The succesful completion of the subject means to get through the exam. It consists of both written and oral part. The oral part is allowed after succesful getting through the written part, i.e. acquisition at least 60% points. The final evaluation reflects the result of both written and oral part of the exam.
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Recommended literature
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Jandera P. Atomová a molekulová spektroskopie se zaměřením na stopovou analýzu kontaminantů. Díl B ? Molekulová spektroskopie v organické analýze.. Pardubice, 2011. ISBN 978-80-7395-392-8.
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Silverstein R.M., Bassler G. C., Morill T. C. Spectrometric Identification of Organic Compounds.. New York, 1991. ISBN 0-471-54193-1.
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Šimůnek P., Váňa J. Sbírka řešených příkladů z organické strukturní analýzy.. Pardubice, 2021. ISBN 978-80-7560-384-5.
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