Raman and Attenuated Total Reflectance Infrared RRUFF Spectra: some cases of deconvolution with q-Gaussians and q-BWF functions

RRUFF database is proposing Raman and Attenuated Total Reflectance (ATR) Infrared spectra of several minerals. Here we consider some cases, comparing Raman and ATR bands, as determined by the deconvolution of RRUFF spectra, with data from literature. The examples of deconvolutions, obtained by means of q-Gaussian and q-BWF (Breit-Wigner-Fano) functions, are regarding azurite and malachite, siderite and rhodochrosite. A detailed discussion is also given of the ATR infrared spectroscopy techniques that have been proposed, independently, in 1959 by Jacob Fahrenfort, Koninklijke Shell Laboratorium, Amsterdam, and in 1960 by Nicolas James Harrick, Philips Laboratories, New York.