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q-BWF functions to deconvolute the attenuated total reflectance infrared spectra of the barite-group minerals

Amelia Carolina SparavignaPolytechnic University of Turin
ChemRxivrepository2024
ABI

Аннотация

Here we consider the minerals in the barite group and their attenuated total reflectance (ATR) infrared spectra, that we can find in the RRUFF database. We apply the q-BWF functions to deconvolute the components of the spectra. The q-BWF functions are the asymmetric line shapes that Sparavigna defined in 2023, to generalize the BWF (Breit-Wigner-Fano) functions. Good results are obtained for the deconvolution of barite, celestine and anhydrite ATR-IR spectra.

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