COURSE OBJECTIVES
To introduce students to the physical foundations of molecular spectroscopy and to the individual application of each spectroscopic method in chemistry, particularly in the interpretation of spectra for the determination of the structures of organic compounds.
COURSE CONTENT
(To be elaborated in detail according to the teaching weeks)
IR Spectroscopy: application of IR spectroscopy to the determination of the structures of organic compounds.
UV/Vis Spectroscopy and Fluorescence: instrumentation; presentation and interpretation of spectra; solvents; chromophores; effects of conjugation.
NMR Spectroscopy: basic principles; nuclear magnetic moment. 1H NMR spectra: chemical shift and shielding; integration; chemical environment and chemical shift; magnetic anisotropy; coupling constants.
NMR Spectroscopy 13C NMR Spectra: carbon-13 chemical shifts; integration in 13C NMR spectra; the nuclear Overhauser effect (NOE); heteronuclear coupling of carbon with deuterium, fluorine-19, and phosphorus-31.
NMR Spectroscopy ? Spin?Spin Coupling: coupling mechanism; coupling constants; first- and second-order spectra; long-range coupling.
NMR Spectroscopy ? Advanced Topics in One-Dimensional NMR: proton exchange in water and D?O; tautomerism; protons attached to nitrogen; solvent effects on chemical shifts. Advanced NMR techniques: DEPT experiment; two-dimensional spectroscopic methods; COSY; HETCOR.
Mass Spectrometry: mass spectrometer; GC/MS; mass spectra; determination of molecular mass and molecular formula; isotope effects.
Mass Spectrometry ? Fragmentation: fragmentation pathways and interpretation of fragmentation patterns.
PREREQUISITES FOR COURSE ENROLLMENT
Required completed courses: all courses from the first year of study.
Required completed attendance: Organic Chemistry I and Organic Chemistry II.
Prerequisites for taking the examination: None.
DEVELOPMENT OF GENERAL AND SUBJECT-SPECIFIC STUDENT COMPETENCIES
Students will be trained to combine the spectroscopic methods introduced in the course in order to analyze the obtained results and apply them to the determination of the structures of organic compounds.
STUDENT COURSE REQUIREMENTS AND METHODS OF COMPLETION
Students are required to attend classes and independently solve the assigned problems.
TEACHING METHODS
Lectures and seminar exercises. Students are expected to acquire the ability to solve the assigned problems independently.
METHODS OF ASSESSMENT AND EXAMINATION
The course may be completed through midterm examinations held after each of the two major methodological units. Students who do not pass the midterm examinations are required to take a written examination.
COURSE QUALITY AND PERFORMANCE MONITORING
Student evaluation survey.
COURSE LEARNING OUTCOMES
Upon successful completion of the course, students will be able to:
explain the physical foundations of individual molecular spectroscopic methods;
select an appropriate spectroscopic method for a given analytical problem;
extract relevant information from the provided spectra;
identify structural units on the basis of the selected spectroscopic method;
correlate the obtained spectroscopic data;
combine different spectroscopic methods;
develop a logical approach to problem-solving and propose a plausible structure based on the given spectroscopic data.
PROGRAMME-LEVEL LEARNING OUTCOMES
Upon successful completion of the programme, students will be able to:
apply spectroscopic methods to the analysis of a given substrate;
use spectroscopic methods to monitor the course of a chemical reaction;
apply acquired knowledge in research projects;
select appropriate spectroscopic methods for monitoring the use and characterization of various materials and for the critical analysis of the obtained results.
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Introduction to Spectroscop, Fifth Edition, Brooks-Cole Thomson Learning, Australia, 2015. (4th 2008, 3rd 2001), D. L. Pavia et al, 2015.
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Structure Determination of Organic Compounds, Tables of Spectral data, Third Edition, Springer-Verlag Berlin Heidelberg, E. Pretsch, P. Buehlmann, C. Affolter, 2000.
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1. R. M. Silverstein, F. X. Webster, D. J. Kiemle: "Spectrometric Identification of Organic Compounds", Seventh Edition, John Wiley & Sons, Inc., New York, USA, 2005.,
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