Course detail

Electron Paramagnetic Resonance: simulation

CEITEC VUT-DS127AAcad. year: 2020/2021

Not applicable.

Language of instruction

English

Mode of study

Not applicable.

Learning outcomes of the course unit

Not applicable.

Prerequisites

basic matlab knowledge

Co-requisites

Not applicable.

Planned learning activities and teaching methods

Not applicable.

Assesment methods and criteria linked to learning outcomes

Not applicable.

Course curriculum

The role of simulation in understanding EPR results.
- Review of the spin Hamiltonian and the EPR experiment
- Extracting information from spectra: EPR lineshapes, fitting of experimental spectra and interpretation of parameters
- Single crystal spectra
- Powder spectra
Introduction to EasySpin, its core functions and its uses:
- cw EPR solid state
- cw EPR liquid state (isotropic, fast motion, slow motion)
- susceptibility data
Optimization
- esfit function for refining spin Hamiltonian parameters
Examples
- transition metal compounds
- organic radicals
- spin label (NO)
- spin trapping technique
- hemeproteins

Work placements

Not applicable.

Aims

The aim of this course is to give an overview of different applications for EPR experiments and offer the basis for interpretation of EPR spectra.

Specification of controlled education, way of implementation and compensation for absences

Not applicable.

Recommended optional programme components

Not applicable.

Prerequisites and corequisites

Not applicable.

Basic literature

A. Abragam and B. Bleaney – Electron paramagnetic resonance of transition ions (EN)
J. A. Weil and J. R. Bolton – Electron Paramagnetic Resonance (EN)
N. M. Atherton – Principles of electron spin resonance (EN)

Recommended reading

Not applicable.

Classification of course in study plans

  • Programme STIAMN Doctoral

    branch AM , 1 year of study, winter semester, compulsory-optional
    branch ANTMT , 1 year of study, winter semester, compulsory-optional