C8070 Molecular Spectroscopy

Faculty of Science
spring 2012 - acreditation

The information about the term spring 2012 - acreditation is not made public

Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
RNDr. Miloš Černík, CSc. (lecturer)
doc. RNDr. Jiří Toužín, CSc. (lecturer)
Guaranteed by
doc. RNDr. Jiří Toužín, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Prerequisites
C5880 Principles of Stereochemistry
Successful completion of basic courses of inorganic, organic and physical chemistry, knowledge of basic concepts of molecular symmetry and group theory
Course Enrolment Limitations
The course is also offered to the students of the fields other than those the course is directly associated with.
fields of study / plans the course is directly associated with
Course objectives
The course covers electron spectroscopy of complexes (UV/VIS region) and infrared and Raman spectroscopy of inorganic systems including vibrational properties of crystals and polymers. Principles of MW and ESCA spectroscopy are also discussed.
Syllabus
  • Electron spectroscopy of complex compounds: absorption spectra in UV-and VIS-regions, type of electron transitions, selection rules, intensities and half widths of d-d-transition bands, spin--orbital interaction. Ligand field (LF) theory approach: Tanabe-Sugano energy diagrams, their construction and applications. Molecular orbital (MO) theory approach: differences from LF theory approach, charge transfer bands. Molecular vibrational spectroscopy: nature of normal vibrations, translational, rotational and vibrational degrees of freedom, vibrational quantum numbers, overtone, "hot" and combination (summation and difference) bands, stretching and bending vibrations, nondegenerate and degenerate vibrations. Infrared absorption and Raman spectroscopy: origin of IR absorption and Raman spectra, molecular spectra of gaseous, li\-quid and solid compounds, intensities of IR and Raman bands, polarization of Raman lines, applications possibilities of both methods, non-linear Raman effects. Application of group theory: vibrational representation, symmetry properties of transtational and rotational motions, symmetry properties of dipole moment and polarisability, selection rules for fundamental, overtone and combination band, rule of mutual exclusion. Assignment of bands in vibrational spectra: empirical rules for assignment of vibrational frequencies, characteristic group frequencies, isotope effect, Teller--Redlich product rule, sum rule, Fermi resonance, approximative calculation of quadratic potential constants (QPC), QPC and bond order, principle of normal coordinate analysis. ESCA and MW spectroscopy: principles and applications. Symmetry of chain and sheet polymers: screw axis and glide planes, one-dimensional lattice, translation groups and translational repeat unit, chain symmetry and line groups, two-dimensional lattices, symmetry of sheet polymers and other two-dimensional species, plane and sheet groups. Crystal symmetry: three-dimensional lattices and 7 crystal systems, holohedry and merohedry, unit cell, primitive and symmetrical primitive cells, 14 Bravais lattices, 32 crystal classes, three-dimensional space groups and their subgroups, site symmetry and equivalent positions, International tables for crystallography and space groups notation. Symmetry and structure of real crystals: externals forms of crystals and point groups, isostructural and isomorphous crystals, polymorphism and phase transitions, molecular rotation in crystals and its impact on the structure, orientationally disordered structures, hypersymmetry, space groups distributions in real crystal structures. Vibrational spectra of crystals: influence of the state of aggregation on vibrational spectra, spectra of matrix isolated species, internal and external modes, correlation analysis and vibrational representation of crystals, site group orientation within the unit cell. Vibrational spectra of one-, two- and three-dimensional polymers: vibrational representation of polymeric chains, correlation analysis and vibrational spectra of crystalline polymers, vibrational spectra of simple non-molecular ionic and covalent crystals.
Literature
  • FERRARO, John R. and Kazuo NAKAMOTO. Introductory Raman spectroscopy. Boston: Academic Press, 1994, xi, 370. ISBN 0122539907. info
  • TURRELL, George. Infrared and raman spectra of Crystals. London: Academic press, 1972, xii, 384. ISBN 0127050507. info
  • HORÁK, Milan and Dušan PAPOUŠEK. Infračervená spektra a struktura molekul : použití vibrační spektrokopie při určování struktury molekul. 1. vyd. Praha: Academia, 1976, 836 s. URL info
  • Toužín, Jiří-Příhoda, Jiří. Spektrální a magnetické metody studia anorganických sloučenin. 1.vyd.Praha:Státní pedagogické nakladatelství, 1986.
  • TOUŽÍN, Jiří and Miloš ČERNÍK. Vibrační spektroskopie molekul a krystalů. 1. vyd. Praha: Státní pedagogické nakladatelství, 1980, 168 s. info
Teaching methods
Lectures
Assessment methods
Oral exam
Language of instruction
Czech
Further Comments
The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2002, Spring 2003, Spring 2004, Spring 2005, Spring 2006, Spring 2007, Spring 2012.