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Electron paramagnetic resonance spectra of chromium(III) in titanium dioxide polymorphs: Exact analysis and simulation by the isotimic method
Author(s) -
Beltran L. Virgilio,
Tovany Luis Gonzalez,
Mile Brynmor,
Rowlands Christopher C.
Publication year - 1995
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260330602
Subject(s) - electron paramagnetic resonance , chemistry , laser linewidth , chromium , ion , spectral line , paramagnetism , titanium dioxide , anatase , electron , titanium , analytical chemistry (journal) , nuclear magnetic resonance , condensed matter physics , physics , optics , metallurgy , materials science , laser , biochemistry , organic chemistry , photocatalysis , astronomy , quantum mechanics , chromatography , catalysis
The isotimic method allows a full analysis and accurate simulation of the experimental EPR spectrum of Cr(III) ions in axial field sites in the anatase polymorph of TiO 2 . The precise estimates of the magnetic and crystalline field parameters obtained from an optimum fit of experimental and simulated spectra are g eff = 1.9734 ± 0.0005, D = 40.6 ± 0.2 mT and a Lorentzian linewidth of Γ = 0.1 mT.