Course detail
Electron Paramagnetic Resonance: simulation
CEITEC VUT-DS127AAcad. year: 2024/2025
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.
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
Language of instruction
Mode of study
Guarantor
Entry knowledge
Basic MATLAB knowledge.
Rules for evaluation and completion of the course
The students will be evaluated through written and oral exams.
Aims
Study aids
Prerequisites and corequisites
Basic literature
J. A. Weil and J. R. Bolton – Electron Paramagnetic Resonance (EN)
N. M. Atherton – Principles of electron spin resonance (EN)
Recommended reading
F. Gerson and W. Huber – Electron spin resonance of organic radicals (EN)
P. H. Rieger – Electron Spin Resonance (EN)