Rapid Quantitation of Parameters from Inhomogeneously Broadened EPR Spectra

作者: H.J. Halpern , M. Peric , C. Yu , B.L. Bales

DOI: 10.1006/JMRA.1993.1125

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摘要: Abstract Spectral parameters from inhomogeneously broadened organic-free-radical EPR spectra, using nearly all the information in spectrum, were extracted rapidly and accurately an approximation of spectral shape by sum a Lorentzian Gaussian function equal linewidths. This approximate was fitted to spectrum nonlinear least-squares fitting algorithm. Line position overall width directly, whereas component widths with further analysis fit parameters. We investigated accuracy which can be more familiar Lorentzian/Gaussian convolution (Voigt) representation spectra for both singlet closely spaced (overlapping) doublet spectrum. The strategy applied, first, synthetic involving noise added Voigt and, second, data nitroxide manifold consisting doublet. parametric extraction increased line-splitting measurement order magnitude compared other methods. It allowed deconvolution linewidth that is consistent previous direct measurements. may allow probing subtle physical variations have heretofore been difficult, if not impossible, measure.

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