Deconvoluted band representation for infrared spectrum compression

Separation and Artificial Maturation of Macerals from Type II Kerogen

“…All spectra presented in this paper are free from mathematical correction such as baseline correction or smoothing. The high quality of micro-infrared spectra allows mathemetical treatments such as second-order derivative and Fourier deconvolution to be performed in order to resolve bands overlapping due to the large number of vibrations in the organic matter structure. − The assignments of the main IR bands were determined by reference to previous works. 35,38-43 To get more information concerning the components of the aliphatic region and particularly concerning methyl (CH 3 −) and methylene (−CH 2 −) groups, a Fourier self-deconvolution of the 2800−3000 cm -1 region was performed.…”

“…35,38-43 To get more information concerning the components of the aliphatic region and particularly concerning methyl (CH 3 −) and methylene (−CH 2 −) groups, a Fourier self-deconvolution of the 2800−3000 cm -1 region was performed. This operation led to a better definition of the bands with reduction of the half-height width. − …”

Combined deconvolution and curve fitting for quantitative analysis of unresolved spectral bands

“…The position, in wavenumbers, of each feature that is just resolved can then be estimated by using the center-of-gravity technique (23). Kauppinen et al (19) have previously suggested this use of FSD for determining the input parameters for a curvefitting algorithm, and this application has been applied experimentally by Jasse to the spectra of polymers (24) and by Divis and White to vapor-phase spectra (25).…”