Course detail
Electron Paramagnetic Resonance: simulation
CEITEC VUT-DS127AAcad. year: 2020/2021
Not applicable.
Language of instruction
English
Mode of study
Not applicable.
Guarantor
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
- 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)
J. A. Weil and J. R. Bolton – Electron Paramagnetic Resonance (EN)
N. M. Atherton – Principles of electron spin resonance (EN)
Recommended reading
Not applicable.