*Conducted in terms:*2019L, 2020L

*Erasmus code:*13.3

*ISCED code:*0531

*ECTS credits:*3

*Language:*Polish

*Organized by:*Faculty of Chemistry

*Related to study programmes:*

# Spectroscopy A 1200-1SPEKTAW4

The lecture is aimed at:

a) systematic presentation of knowledge necessary for informed application of spectroscopic methods in chemistry

b) making the student acquainted with theoretical basics of the most important methods of molecular spectroscopy

c) making the student acquainted with methodology of spectroscopic experiments and interpretation of the spectra.

The introductory part will be a reminder course in the properties of electromagnetic radiation and in the basics of quantum chemistry (quantization of electronic, vibrational and rotational energy of a molecule). Next, the relation between the structure of molecular energy levels and the form of absorption, emission and Raman spectrum will be explained. The next lectures will be focused on the following spectroscopic techniques. Rotational spectroscopy – energy levels of a two-atomic rigid rotator, rotations of polyatomic molecules, microwave spectrum and rotational Raman effect. Vibrational spectroscopy – harmonic and anharmonic oscillator, energy levels and wave functions of two-atomic harmonic oscillator, normal vibrations, IR and vibrational Raman spectra, rotational-vibrational spectra – selection rules, Fourier transformation. Resonance Raman effect. Electronic spectra: selection rules, vibrational and rotational structure of electronic spectra, determination of dissociation energy from electronic spectra, luminescence spectra. Photoelectron spectroscopy – the basics of XPS, UPS and Auger spectroscopy. Electron spin resonance (ESR) – energy quantum levels of electron in external magnetic field, g factor, hyperfine structure of ESR spectra. Nuclear magnetic resonance (NMR) - energy levels of magnetic nuclei in external magnetic field, resonance condition, magnetic shielding of the nuclei, spin-spin coupling, magnetic and chemical equivalence of nuclei, 1H, 13C, 14N, 15N and 19F magnetic resonance, MR signal processing, Fourier transform, relaxation in NMR, nuclear Overhauser effect, multidimensional NMR spectra. NMR tomography.

Possibilities of application of spectroscopic methods in solving various chemical problems (identification of organic compounds, establishing of the structure of chemical compounds, analytical applications).

Lecture = 30 hours.

Individual preparation for each lecture (1.5 h weekly) = 22 hours.

Preparation for the exam = 28 hours.

Together = approximately 80 hours.

## Main fields of studies for MISMaP

## Type of course

## Prerequisites

## Prerequisites (description)

## Course coordinators

## Learning outcomes

After completing the lecture, the student

a) has extended knowledge on the role of molecular spectroscopy in science and its significance for the development of humanity,

b) knows and understands theoretical bases of different spectroscopic measurements,

c) is aware of the field of application of different spectroscopic measurements,

d) can use methods of molecular spectroscopy for analysis of structure and properties of molecules in gas and liquid phase,

e) is able to select appropriate spectroscopic techniques to solve a given scientific problem,

f) knows the basic aspects of construction and working of the contemporary apparatus for spectroscopic measurements,

g) knows, understands, and is able to explain in the mathematical form the theory of the basic phenomena and processes influencing the form of the measured spectra.

## Assessment criteria

Final exam in the form of an oral exam carried out separately on issues related to EPR and NMR spectroscopies and other issues discussed during the lecture. 1/3 of the exam points can be obtained from questions related to EPR and NMR spectroscopies, the remaining points can be obtained from questions related to other issues. A student has to obtain at least 50% of the points from each part (NMR/EPR and other techniques). Attendance at the lecture is obligatory - the number of absences allowed is 3 lectures.

## Practical placement

NONE

## Bibliography

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

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: