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Applications of automatic fittings to powder EPR spectra of free radicals, S > 1/2, and coupled systems
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Chemical Physics .
2004 (English)In: Applied Magnetic Resonance, ISSN 0937-9347, Vol. 26, no 3, 365-385 p.Article in journal (Refereed) Published
Abstract [en]

An automatic fitting procedure has been employed to analyze experimentally studied paramagnetic complexes in powder form by electron paramagnetic resonance (EPR). A least-squares fitting procedure utilizing analytical derivatives of the theoretically calculated spectrum with respect to the g-, zero-field, nuclear quadrupole, and hyperfine tensors was used to refine those parameters. An anisotropic line width could also be fitted. The theoretically calculated spectra were obtained by matrix diagonalization of a general spin Hamiltonian allowing also magnetically coupled systems to be analyzed. A VO2+ S = 1/2 complex showing g and hyperfine anisotropic interactions and free radical systems featuring Deltam(1) not equal 0 transitions due to the direct field effect or the presence of quadrupolar nuclei have been analyzed as well as NO, species on surfaces and radiation defects employed for EPR dosimetry. Analysis of systems with S > 1/2 and magnetically coupled species has also been attempted.

Place, publisher, year, edition, pages
2004. Vol. 26, no 3, 365-385 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-48292OAI: diva2:269188
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-12

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