May 26, 2019   5:32 p.m. Dušan
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Course syllabus N400V11_4D - Selected Topics in Molecular Spectroscopy (FCFT - 2018/2019 - post-graduate studies)

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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: N400V11_4D
Course unit title: Selected Topics in Molecular Spectroscopy
Mode of delivery, planned learning activities and teaching methods:
lecture5 hours weekly (on-site method)

Credits allocated: 6
Recommended semester/trimester: Chemical Physics - doctoral (compulsory), 1. year
Theoretical and Computational Chemistry - doctoral (semi-compulsory), 2. year
Theoretical and Computational Chemistry - doctoral (semi-compulsory), 2. year
Level of study: 3.
Prerequisites for registration: none
Assesment methods:
The notation is defined by the currently valid study regulations at the Slovak University of Technology in Bratislava.
Learning outcomes of the course unit:
The student has knowledge on the interaction of electromagnetic radiation with matter, which is associated with different responses. Students can interpret spectroscopic measurements and apply information obtained to clarify molecular structure and properties of investigated compounds.
Course contents:
The basic theoretical aspects of molecular spectroscopy, quantum mechanics, spectral transitions, Einstein's theory of spectral transitions, transition moment, selection rules.
Nuclear Magnetic Resonance (multi-dimensional NMR, spectrum – structure relationship, analysis and simulation of NMR spectra,recent techniques and trends in NMR.
Electron Paramagnetic Resonance (theoretical aspects, quantum chemical analysis of the spin Hamiltonian, cw-EPR, TR-EPR, recent trends in EPR spectroscopy, analysis and simulation of EPR spectra.
Vibrational spectroscopy (theoretical aspects of rotational and vibrational spectra, rotational spectra of diatomic and polyatomic molecules, microwave spectroscopy, vibrational spectra, normal vibrational modes, analysis, interpretation and simulation of IR spectra.
UV/Vis spectroscopy (electron structure and electronic spectrum, transition moments, the intensity of absorption bands, Franck-Condon principle, selection rules, intermolecular interactions in the electronic spectra, methods for the theoretical calculations of electronic spectra, properties and deactivation of the excited states, luminescence spectra.
The analysis of hypotheses of PhD. thesis focused on the applications of available spectroscopic techniques and theoretical methods (experimental and theoretical proposals for solutions).
Recommended or required reading:
ATKINS, P W. Fyzikálna chémia: (Časť 2b). Z angl. orig. Bratislava : STU v Bratislave, 1999. 321 p. ISBN 80-227-1238-8.
ATKINS, P W. Physical Chemistry. Oxford : Oxford University Press, 1994. 1031 p. ISBN 0-19-855730-2.
MILATA, V. -- SEGĽA, P. -- BREZOVÁ, V. -- GATIAL, A. -- KOVÁČIK, V. -- MIGLIERINI, M. -- STANKOVSKÝ, Š. -- ŠIMA, J. Aplikovaná molekulová spektroskopia. Vydavateľstvo STU v Bratislave, 2008. 600 p. ISBN 978-80-227-2960-4.
SILVERSTEIN, R M. -- WEBSTER, F X. Spectrometric Identification of Organic Compounds. New York : John Wiley & Sons, 1998. 482 p. ISBN 0-471-13457-0.

Language of instruction: -- item not defined --
Courses evaluation:
Assessed students in total: 15

100,0 %0 %
Name of lecturer(s): prof. Ing. Vlasta Brezová, DrSc. (person responsible for course) - slovak
Last modification: 27. 8. 2018
Supervisor: prof. Ing. Vlasta Brezová, DrSc. and programme supervisor

Last modification made by Ing. Tomáš Molnár on 08/27/2018.

Type of output: