*Conducted in terms:*2019L, 2020L

*Erasmus code:*13.3

*ISCED code:*0531

*ECTS credits:*1.5

*Language:*Polish

*Organized by:*Faculty of Chemistry

*Related to study programmes:*

# Spectroscopy Tutorials A 1200-1SPEKTAC4

The tutorial is geared towards educating the students in qualitative and quantitative interpretation of the spectra in terms of molecular symmetry and structure and analytical applications of molecular spectroscopy.

We will recollect (after having introduced them in the lecture) the quantitative description of the electromagnetic radiation, the relation of peak position and the energy levels of the molecule, the Boltzmann distribution, the relation of the peak intensity and the transition moment and population of the energy levels, and the Doppler effect. The relevant computational problems will be solved. During the following classes the student will be solving problems related to: a) rotational spectroscopy: interpretation of the microwave spectrum and rotational Raman spectrum of two-atomic and simple polyatomic molecules in term of molecular geometric parameters, modelling of spectral intensities in rotational spectrum; b) vibrational spectroscopy: energy levels of harmonic and anharmonic application of group theory in interpretation of vibrational spectra, quantitative interpretation of the rotational-vibrational spectra of two-atomic molecules; c) electronic spectra: selection rules in atoms and molecules, application of group theory in interpretation of electronic spectra, vibrational and rotational structure of electronic spectra, determination of dissociation energy from electronic spectra, luminescence spectra. d) electron spin resonance (ESR): resonance condition, prediction of the ESR spectra, determination of the g factor and hyperfine coupling constants from the ESR spectra; e) Nuclear magnetic resonance (NMR): energy levels of magnetic nuclei in external magnetic field, resonance condition, prediction of the form of NMR spectra, calculation of chemical shift and spin-spin coupling from the NMR spectra.

## Main fields of studies for MISMaP

## Type of course

## Prerequisites (description)

## Course coordinators

## Learning outcomes

After completing the tutorial, a student should be able:

a) to interpret a spectrum in terms of molecular properties

b) to predict the form of a spectrum on the basis of the theory of the given spectroscopic phenomenon

c) to use the spectra for quantitative and qualitative analysis

## Assessment criteria

Written test, positive mark from 50%. Attendance is obligatory, maximum two absences are allowed.

## Practical placement

Does not apply.

## Bibliography

P. W. Atkins, Chemia Fizyczna, PWN, Warszawa, 2003.

P. W. Atkins, C.A. Trapp, M. P. Cady, C. Giunta Chemia Fizyczna. Zbiór zadań z rozwiązaniami, PWN, Warszawa, 2001.

Z. Kęcki, Podstawy spektroskopii molekularnej, PWN, Warszawa, 1992.

## Additional information

Information on *level* of this course, *year of study* and semester when the course
unit is delivered, types and amount of *class hours* - can be found in course structure
diagrams of apropriate study programmes. This course is related to
the following study programmes:

Additional information (*registration* calendar, class conductors,
*localization and schedules* of classes), might be available in the USOSweb system: