Fitting of EPR spectra: The importance of a flexible bandwidth

Journal of Magnetic Resonance

Volumn 207, Issue 2, 2010, Pages 283-286

  Husein Mor, Hasan ^a   Weihe, Høgni ^a   Bendix, Jesper ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Bandshape; Bandwidth; EPR; Fitting; Spin Hamiltonian

Indexed keywords

BANDSHAPE; DEGREE OF FLEXIBILITY; EPR; EPR SPECTRA; FITTING; FLEXIBLE BANDWIDTH; INHOMOGENEOUS LINE; SPIN HAMILTONIAN; SPIN HAMILTONIAN PARAMETERS; SPIN SYSTEMS;

CHROMIUM; ELECTRON SPIN RESONANCE SPECTROSCOPY; HAMILTONIANS; SPIN DYNAMICS;

BANDWIDTH;

COBALT; DYES, REAGENTS, INDICATORS, MARKERS AND BUFFERS;

ALGORITHM; ANISOTROPY; ARTICLE; CHEMISTRY; CRYSTALLIZATION; ELECTROMAGNETIC FIELD; ELECTRON SPIN RESONANCE; POWDER; REGRESSION ANALYSIS; STATISTICS;

ALGORITHMS; ANISOTROPY; COBALT; CRYSTALLIZATION; ELECTROMAGNETIC FIELDS; ELECTRON SPIN RESONANCE SPECTROSCOPY; INDICATORS AND REAGENTS; LEAST-SQUARES ANALYSIS; POWDERS;

EID: 78649449263     PISSN: 10907807     EISSN: 10960856     Source Type: Journal    
DOI: 10.1016/j.jmr.2010.09.011     Document Type: Article

References (18)

1. Y. Kawasaki, and L.S. Forster Zero-field splittings in tris(oxalato-chromium)(III) complexes J. Chem. Phys. 50 2 1969 1010 1013
2. 2O J. Chem. Phys. 51 3 1969 996 1001
3. 4 Chem. Phys. Lett. 261 1996 313 317 (Pubitemid 126163425)
4. III) complex: zero-field splitting determination Solid State Sci. 10 2008 1387 1397
5. B. Kirste Methods for automated analysis and simulation of electron paramagnetic resonance spectra Anal. Chim. Acta 256 1992 191 200
6. S.K. Misra A rigorous evaluation of spin-Hamiltonian parameters and linewidth from a polycrystalline EPR spectrum J. Magn. Reson. 140 1999 179 188
7. T. Spalek, P. Pietrzyk, and Z. Sojka Application of the genetic algorithm joint with the Powell method to nonlinear least-squares fitting of powder EPR spectra J. Chem. Inf. Model. 45 2005 18 29
8. A. Lund, H. Gustafsson, J. Maruani, and M. Shiotani Automatic fitting to powder EPR spectra of coupled paramagnetic species employing Feynman's theorem Spectrochim. Acta A63 2006 830 835
9. S. Stoll, and A. Schweiger EasySpin, a comprehensive software package for spectral simulation and analysis in EPR J. Magn. Reson. 178 2006 42 55 (Later versions of this software package include the option of fitting spectra)
10. G.R. Hanson, K.E. Gates, C.J. Noble, M. Griffin, A. Mitchell, and S. Benson XSophe-Sophe-XeprView. A computer simulation software suite (v.1.1.3) for the analysis of continuous wave EPR spectra J. Inorg. Biochem. 98 2004 903 916
11. Yu.V. Rakitin, G.M. Larin, V.V. Minin, Interpretation of ESR spectra of coordination compounds, Nauka, 1993. ISBN 5-02-001570-9.
12. S.D. Bruce, J. Higinbotham, I. Marshall, and P.B. Beswick An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra J. Magn. Reson. 142 2000 57 63
13. J.C. Bailar Jr., and E.M. Jones Trioxalato salts Inorg. Synth. 1 1939 35 38
14. 6 diluted in the isomorphous germanium salts Inorg. Chem. 48 2009 3198 3204
15. 2+ impurities in calcite. A multi- and low-frequency EPR study Mol. Phys. 105 15 2007 2025 2030
16. J.R. Pilbrow Transition Ion Electron Paramagnetic Resonance 1990 Clarendon Press Oxford
17. J.S. Griffith The Theory of Transition Metal Ions 1961 Cambridge University Press
18. D.G. Kleinbaum, L.L. Cupper, K.E. Muller, and A. Nizam Applied Regression Analysis and Other Multivariable Methods 1997 Duxbury Press New York pp. 426-434