Lecturer(s)


Nauš Jan, prof. RNDr. CSc.

Course content

1) Classical theory of interaction between optical radiation and matter, consequences for spectroscopies. ). General significance of KramersKronig relations. 2) Quantum theory of interaction between optical radiation and matter. Selection rules in spectroscopies. Fermi golden rule. 3) Quantum mechanical description of the molecular states (adiabatic and BornOppenheimer approximation), classification of spectroscopies. 4) Theory of rotational and vibrational spectra. Classic and quantum theory of small vibrations. Normal vibrations. 5) Theory of electronicvibrational absorption and luminescence spectra. FranckCondon principle. Molecular orbitals and their presentation in spectra. 6) Theory of symmetry and the effect of symmetry on molecular spectra. 7) Relation between absorption and scattering spectroscopies. 8) The nature of dispersive and FT methods. Real spectra, discerptibility of spectral lines, the effect of instrumental function. 9) Quasiliear spectra and theory of special spectroscopies (siteselection, hole burning, spectroscopies of polarized light, CD and ORD, spectroscopy of nonlinear phenomena, dielectric spectroscopy. 10) Application of theory of autocorrelation functions in spectroscopies of scattering and fluorescence. 11) Theoretical nature of the magnetic resonance spectroscopies, Bloch equations, basics of classical and quantum theory, linesplitting rules, relaxation times, mathematical basics of NMRI. Difference between NMR and EPR, anisotropic phenomena. Spectroscopy of triplet state. Interpretation of the freeradical spectra. 12) Theoretical basics of the Mössbauer spectroscopy.

Learning activities and teaching methods

Lecture
 Preparation for the Exam
 40 hours per semester
 Attendace
 42 hours per semester
 Homework for Teaching
 20 hours per semester

Learning outcomes

The goals of this course is to provide a deeper basics of some theories in spectroscopies and to derive the basic relations. The contribution of the classic theories of interaction between electromagnetic radiation and matter are explained, the Fermi golden rule for spectroscopies is derived based on quantum mechanics. The quantum mechanical description of the molecular states is based on several principles and approximations (adiabatic, BornOppenheimer approximation, Franck  Condon principle etc.). Both classic and quantum theory of molecular vibrations is shown and the concept of normal vibrations is explained. The effect of molecular symmetry in the spectra is demonstrated. Theoretical nature of resonance spectroscopies (NMR, EPR) is explained.
Knowledge Define the main ideas and conceptions of the subject, describe the main approaches of the studied topics, recall the theoretical knowledge for solution of model problems.

Prerequisites

Passing the basic course of physics, experimental methods of biophysics and higher mathematics.

Assessment methods and criteria

Mark
Understanding of the nature of the theoretical approach, derivation of basic equations, dimension tests

Recommended literature


Atkins, P.W., Friedman, R.S. (1997). Molecular Quantum Mechanics. Oxford Unuiversity Press.

Banwell, C.N. (1983). Fundamentals of Molecular Spectroscopy. McGrawHill Ltd. London.

Horák, M., Papoušek, D. (1976). Infračervená spektra a struktura molekul. Academia, Praha.

Horák, M., Vítek, A. (1980). Zpracování a interpretace vibračních spekter. SNTL, Praha.

Nepraš, M., Titz, M. (1983). Základy teorie elektronových spekter. SNTL, Praha.

Prosser, V. a kol. (1989). Experimentální metody biofyziky. Academia Praha.

Žaloudek, F. (1986). Experimentální metody biofyziky III. (skripta). UP Olomouc.
