C5875 Introduction to EPR spectroscopy

Faculty of Science
Spring 2025
Extent and Intensity
2/0. 2 credit(s) (plus extra credits for completion). Type of Completion: zk (examination).
In-person direct teaching
Teacher(s)
Dr. Vinicius Tadeu Santana (lecturer)
Guaranteed by
doc. Mgr. Markéta Munzarová, Dr. rer. nat.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Timetable
Mon 17. 2. to Sat 24. 5. Mon 14:00–15:50 Kontaktujte učitele
Prerequisites
Physical chemistry II (C4020) or equivalent
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 aim of this course is to give an overview of the electron paramagnetic resonance (EPR) technique and its applications, offering the basis for the interpretation of EPR spectra via simulation.
Learning outcomes
After completing the course, a student will be able to:
- understand the principles of electron paramagnetic resonance;
- evaluate the type of samples (powder, thin-films, liquids, single crystals, etc) and feasibility of EPR analysis for a given system (radicals, metal complexes, solid-state functional materials, nanoparticles, etc) as well as the type of measurements (cw, pulsed, frequency and field range, temperature);
- program basic MATLAB scripts using a package for EPR simulation (easyspin.org) for reproduce experimental results and perform computational EPR experiments;
- measure liquid and powder samples in an X-band EPR spectrometer at room temperature;
- understand the principles of high-frequency EPR (HFEPR) and analyze data from a HFEPR spectrometer;
Syllabus

  • 1. Foundations of EPR
    - Zeeman effect, Stern-Gerlach experiment, First EPR experiments, EPR scope and modern applications

    2. Introduction to EPR
    - Spin Hamiltonian and the EPR experiment (cw and pulsed EPR, field domain vs frequency domain, HFEPR)
    - Experimental conditions: microwave power (saturation), field modulation, role of temperature (population of energy levels)
    - Extracting information from spectra: EPR lineshapes, fitting of experimental spectra and interpretation of parameters

    3. Introduction to EasySpin, its core functions and its uses:
    - cw EPR solid state (single-crystal, powder samples)
    - cw EPR liquid state (isotropic, fast motion, slow motion)

    4. Examples
    - Transition Metal Compounds (magnetic anisotropy, ligand-field, zero-field splitting, exchange interaction, magneto-structural correlations)
    - Organic radicals
    - Spin trapping technique (quantitative EPR, reactive oxygen species, antioxidant activity)
Literature
    recommended literature
  • ATKINS, P. W., Julio DE PAULA and James KEELER. Atkins' physical chemistry. Eleventh edition. Oxford: Oxford University Press, 2017, xxvii, 908. ISBN 9780198769866. info
  • WEIL, John A. and James R. BOLTON. Electron paramagnetic resonance : elementary theory and practical applications. 2nd ed. Hoboken, N.J.: Wiley-Interscience, 2007, xxiii, 664. ISBN 9780471754961. info
Teaching methods
Lectures (slides + white board), class discussions, homework. The course has also a practical part where we will use MATLAB for simulation and data analysis. The lectures will be supported by practical work in an EPR lab or analysis of actual results from provided measurements.
Assessment methods
Students must complete at least 80% of the homework assignments to pass the course. Each homework will be based on the corresponding lecture topic and might consist of a theoretical or practical tasks (data analysis or simulation).
Language of instruction
English
Further Comments
Study Materials
The course is taught annually.
  • Enrolment Statistics (recent)
  • Permalink: https://is.muni.cz/course/sci/spring2025/C5875