14. 12. 2019  1:39 Branislava, Bronislava
Akademický informační systém

Sylabus předmětu N419S2_4I - Spectral Methods in Chemistry (FCFT - WS 2019/2020)

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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit code: N419S2_4I
Course unit title: Spectral Methods in Chemistry
Mode of delivery, planned learning activities and teaching methods:
lecture3 hours weekly (on-site method)
seminar2 hours weekly (on-site method)

Credits allocated: 6
Recommended semester/trimester: Technical Chemistry - master (semi-compulsory), 3. semester
Level of study: 2.
Prerequisites for registration: none
Assesment methods:
During the semester students have to defend two projects on the use of spectral methods for the characterization of compounds. Project themes are to be related to their work in research laboratories.
Learning outcomes of the course unit:
In the lectures, the seminar and tests the student will learn:

a) Principles, possibilities and practical use of spectral methods to clarify the structures and structural characterization and identification of organic and inorganic substances in solid, liquid and gaseous state.

b) The use of the information from the spectral methods as well as information available from literature and databases to solve chemical problems.

Course contents:
1.Introduction to spectral methods. (allowance 2/1)
a.What we mean by the terms spectroscopy, electromagnetic spectrum - the types of interactions of radiation with matter. Induced absorption and emission.
b.Molecular energy levels. Planck equation, types of transitions. The selection rules. Relaxation time. The natural line width, causes of widening of the lines.
c.Symbols and units of the electromagnetic spectrum and their mutual conversions.
d.Boltzmann distribution. The sensitivity of each method.
e.Basic components of a spectrophotometer, absorption spectra, absorbance, transmittance. Lambert-Beer's law and its use in spectroscopy.

2.Infrared Spectroscopy. (allowance 8/4)
a.The physical nature of IR. Infrared spectra of diatomic molecules. Dependence of impact force constant and mass on the frequency vibrations.
b.Types and number of polyatomic molecular vibrations.
c.The shape and intensity of bands in the IR spectrum.
d.Vibration of groups - the division of the spectra, complicating factors - overtones and combination bands. Fermi rezonance.
e.Preparation of samples for measurement of IR spectra (measurement techniques). Errors affecting the measurement of spectra.
f.Vibrational-rotational transitions. Fine rotational structure of vibrational band. The intensity and shape of the absorption bands.
g.Measurement of reflective spectra. Analytical use of IR spectrometry.
h.Interpretation of IR spectra. Characteristic group and skeletal vibrations (4000 to 1500 cm-1). Skeletal vibration region ("fingerprints" region, 1500-600 cm-1).
i.Some trends observed in the IR spectra of carbonyl compounds. Electron effects, the effect of conjugation, the effect of stress in a circle and the influence of hydrogen bonds on the value of (C = O).
j.Evidence of hydrogen bonds in the IR spectrum.
k.Applications of IR spectroscopy. IR spectra of polymers. IR spectra of organometallic and complex compounds, structure and mode of ligand coordination.

3.Raman Spectroscopy. (allowance 4/2)
a.Radiation scattering - Rayleigh (elastic) scattering, Raman (inelastic) scattering, Raman effect. Raman spectrum.
b.Methods for increasing the intensity of Raman signal. Applications of Raman Spectroscopy.

4.UV and VIS Spectroscopy. (allowance 8/4)
a.The physical nature of UV and VIS spectroscopy, types and classification of electron MO transitions, selection rules.
b.The intensity and position of absorption bands in UV spectroscopy. Spectrum - distinguish bands assigned to the transition.
c.CT-compexes, pH affect the position of the maximum of absorption band.
d.UV-VIS spectroscopy of coordination compounds, splitting of energy levels of d-orbitals for tetrahedral, octahedral as well as square-planar streochemistry.
e.Jahn-Teller effect. Electron spectrum of an aqueous solution of [Ti (H2O)6]3+ and [Cu(H2O)6]2+.
f.Tanabe-Sugan (TS) correlation diagrams. Racah parameters. Nefelauxetic effect.
g.Selection rules for d-d transitions in octahedral, tetrahedral as well as square-planar complexes. The intensity of absorption bands.
h.Spectrochemical series of ligands.
i.CT transitions in the electron spectra of coordination compounds.

5.EPR Spectroscopy. (allowance 4/2)
a.Basic spectral parameters that can be obtained from EPR spectra.
b.Three basic types of EPR spectra and their characterization.
c.g-factor anisotropy of EPR spectra of transition metals.

6.Mass Spectrometry. (allowance 2/1)
a.Mass spectrometry, experimental arrangement - a block diagram of the mass spectrometer, ionization techniques, analyzers.
b.Mass spectrum, molecular ion, analysis of isotopic composition.
c.Mass spectra of organometallic compounds.

Recommended or required reading:
MILATA, V. -- SEGĽA, P. Spektrálne metódy v chémii + CD-ROM. Bratislava : Vydavateľstvo STU v Bratislave, 2004. 327 p. ISBN 80-227-2049-6.
MILATA, V. -- BREZOVÁ, V. -- SEGĽA, P. Aplikovaná molekulová spektroskopia. Bratislava: STU, 2008. 602 p. ISBN 978-80-227-2960-4.

Language of instruction: slovak or english
Courses evaluation:
Assessed students in total: 20

80,0 %0 %15,0 %5,0 %0 %0 %
Name of lecturer(s): prof. Ing. Peter Segľa, DrSc. (examiner, instructor, lecturer, person responsible for course) - slovak, english
Ing. Jozef Švorec, PhD. (examiner, instructor, lecturer) - slovak, english
Last modification: 29. 1. 2019
Supervisor: prof. Ing. Peter Segľa, DrSc. and programme supervisor

Last modification made by Ing. Tomáš Molnár on 01/29/2019.

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