C5870 EPR Spectroscopy

Faculty of Science
Autumn 2013
Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
Teacher(s)
doc. RNDr. Pavel Kubáček, CSc. (lecturer)
Guaranteed by
doc. RNDr. Pavel Kubáček, CSc.
Department of Chemistry – Chemistry Section – Faculty of Science
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science
Prerequisites
No prerequisite or concurrent.
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
there are 16 fields of study the course is directly associated with, display
Course objectives
The course aims to explain basic concepts of the high resolution EPR spectroscopy and its chemical application. After completing this course students will understand basic features of EPR including the following topics: energy of the magnetic dipole in the magnetic field, quantization of the angular momentum, population of energy levels, spin relaxation, saturation, line shapes; the quantitative EPR measurement; basic instrumentation of EPR; the hyperfine coupling in solutions, the odd electron distribution, spin densities and populations, the McConnell equation, the Karplus-Fraenkel equation.
Syllabus
  • 1. History and scope of ESR spectroscopy. Radicals in chemistry.

    2. Energy of magnetic dipoles in a magnetic field. Quantization of angular momentum.

    3. The interaction of magnetic dipoles with electromagnetic radiation. Significance of the g-factor.

    4. Populations of energy levels. Spin relaxation. Saturation. The shape of the spectral lines.

    5. Quantitative measurements in ESR spectroscopy.

    6. Common features of NMR and ESR spectroscopy.

    7. Fundamentals of ESR spectroscopy instrumentation, resonators, microwave sources, magnets, HF-modulation, detection system.

    8. The choice of experimental conditions, the microwave power, the modulation amplitude, concentration of radicals, temperature.

    9. Hyperfine interactions, the anisotropic and isotropic components.

    10. Unpaired electron distribution in the radical molecule, spin density and spin populations.

    11. The mechanism of pi-pi-spin polarization, McLachlan theory.

    12. The mechanism of sigma-pi-spin polarization, Karplus-Fraenkel equation, McConnell equation, hyperconjugation.

    13. Analysis EPR spectra in liquid phase.

    14. Common types of radicals.

Literature
  • ATKINS, P. W. Physical chemistry. 6th ed. Oxford: Oxford University Press, 1998, xvi, 1014. ISBN 0198501013. info
  • Kubáček, Pavel. EPR spektroskopie. Hypertext 2002.
  • POLÁK, Rudolf and Rudolf ZAHRADNÍK. Kvantová chemie : základy teorie a aplikace. 1. vyd. Praha: Státní nakladatelství technické literatury, 1985, 466 s. URL info
Teaching methods
Twelve lectures with exercises.
Assessment methods
The final written assessment (10 questions) lasts 60 minutes. Students may use textbooks and their personal notes. Maximum of points will be 50 (A: 50-41; B: 40-37; C: 36-33; D: 32-29; E: 28-25; F: 24-0 points; P: 50-21; N: 20-0 points).
Language of instruction
Czech
Further Comments
Study Materials
The course can also be completed outside the examination period.
The course is taught once in two years.
The course is taught: every week.
Teacher's information
http://cheminfo.chemi.muni.cz/kubacek/EPR/index.htm
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Autumn 1999, Autumn 2010 - only for the accreditation, Autumn 2000, Autumn 2001, Autumn 2002, Autumn 2003, Autumn 2004, Autumn 2005, Autumn 2006, Autumn 2007, Autumn 2008, Autumn 2009, Autumn 2010, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012.
  • Enrolment Statistics (recent)
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