Quantification of Overlapping VIS-Absorption Bands by Fourier-Domain Fitting of a Generalized Band Shape Function

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Abstract:

Parameter estimation of overlapping (near-)symmetrical absorption bands with reference to quantitative determination may advantageously be performed by a new procedure that involves fitting a generalized four-parameter band shape function to the Fourier-domain representation of the second-derivative spectrum. Important features of the method are: insensitivity to linear and weakly curved baselines, inherent noise reduction, fast calculation of objective function, and band simulation capability much better than that with the Gauss or Lorentz shapes.

Keywords: Band shape; Curve fitting; Derivative spectroscopy; Fourier transform; Quantification

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702904085435

Affiliations: Institute of Biological Chemistry A, University of Copenhagen, Universitetsparken 13, DK-2100 Copenhagen Ø, Denmark

Publication date: February 1, 1990

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