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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

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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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