Download Full PDF
Read Complete Article
DOI: 10.18483/ijSci.2803
~ 31
` 73
a 76-83
Volume 13 - Sep 2024
Abstract
Here we consider some carbonate minerals and their attenuated total reflectance (ATR) infrared spectra, that we can find in 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 A. C. Sparavigna defined in 2023, to generalize the BWF (Breit-Wigner-Fano) functions. Nearby all the ATR spectra that we will consider are characterized by the presence of a large peak. We will show that, in the case of aragonite and bastnäsite-(Ce), only one q-BWF function is enough for fitting this main peak.
Keywords
Infrared Spectroscopy, ATR Spectroscopy, q-Gaussian Functions, q-BWF Functions
References
- Chukanov, N.V. (2014). IR Spectra of Minerals and Reference Samples Data. Springer Geochemistry/Mineralogy. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-7128-4_2
- Ferrari, A. C., & Robertson, J. (2000). Interpretation of Raman spectra of disordered and amorphous
- carbon. Physical Review B 61: 14095–14107.
- Gaffey, S. J. (1986). Spectral reflectance of carbonate minerals in the visible and near infrared (0.35-2.55 microns); calcite, aragonite, and dolomite. American Mineralogist, 71(1-2), 151-162.
- Gunasekaran, S., Anbalagan, G., & Pandi, S. (2006). Raman and infrared spectra of carbonates of calcite structure. Journal of Raman Spectroscopy: An International Journal for Original Work in all Aspects of Raman Spectroscopy, Including Higher Order Processes, and also Brillouin and Rayleigh Scattering, 37(9), 892-899.
- Hanel, R., Thurner, S., & Tsallis, C. (2009). Limit distributions of scale-invariant probabilistic models of correlated random variables with the q-Gaussian as an explicit example. The European Physical Journal B, 72(2), 263.
- Kendix, E. L. (2009). Trasmission and Reflection (ATR) Far-Infrared Spectroscopy Applied in the Analysis of Cultural Heritage Materials. Ph.D. Thesis, Alma Mater Studiorum Università di Bologna, Bologna, Italy.
- Khoshhesab, Z. M. (2012). Reflectance IR spectroscopy. Infrared spectroscopy-Materials science, engineering and technology, 11, 233-244.
- Kim, Y., Caumon, M. C., Barres, O., Sall, A., & Cauzid, J. (2021). Identification and composition of carbonate minerals of the calcite structure by Raman and infrared spectroscopies using portable devices. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 261, 119980.
- Lafuente, B., Downs, R. T., Yang, H., & Stone, N. (2015). 1. The power of databases: The RRUFF project. In Highlights in mineralogical crystallography (pp. 1-30). De Gruyter (O).
- Sparavigna, A. C. (2023). q-Gaussian Tsallis Line Shapes and Raman Spectral Bands. Int. J. Sciences, 12(3), 27-40. https://doi.org/10.18483/ijsci.2671
- Sparavigna, A. C. (2023). q-Gaussian Tsallis Line Shapes for Raman Spectroscopy (June 7, 2023). Available at SSRN: https://ssrn.com/abstract=4445044 or http://dx.doi.org/10.2139/ssrn.4445044
- Sparavigna, A. C. (2023). Asymmetric q-Gaussian functions generalizing the Breit-Wigner-Fano functions. Zenodo. https://doi.org/10.5281/zenodo.8356165
- Sparavigna, A. C. (2023). SERS Spectral Bands of L-Cysteine, Cysteamine and Homocysteine Fitted by Tsallis q-Gaussian Functions. Int. J. Sciences, 12(09), 14-24. http://dx.doi.org/10.18483/ijSci.2721
- Sparavigna, A. C. (2024). Molybdenum Disulfide MoS2 and the q-BWF line shapes (Raman Spectroscopy). ChemRxiv. doi:10.26434/chemrxiv-2024-cprs3-v3
- Sparavigna, A. C. (2024). Barium Titanate BaTiO3 Raman Spectra and their deconvolution with q-BWF functions. ChemRxiv. doi:10.26434/chemrxiv-2024-dchgr
- Sparavigna, A. C. (2024). q-Gaussian and q-BWF functions for the deconvolution of Raman and infrared spectra of Calcite. ChemRxiv. doi:10.26434/chemrxiv-2024-nsmch
- Sparavigna, A. C. (2024). q-BWF functions to deconvolute the attenuated total reflectance infrared spectra of the barite-group minerals. ChemRxiv. doi:10.26434/chemrxiv-2024-9x1jz
- Subramanian, A., & Rodriguez-Saona, L. (2009). Chapter 7-Fourier Transform Infrared (FTIR) Spectroscopy, in Infrared Spectroscopy for Food Quality Analysis and Control, D. Sun, Ed.
- Tsallis, C. (1988). Possible generalization of Boltzmann-Gibbs statistics. Journal of statistical physics, 52, 479-487.
- White, F. (1974). The Infrared Spectra of Minerals, Farmer V.C. ed., Mineralogical society monograph, 4, 331-363.
- Wojdyr, M. (2010). Fityk: a general-purpose peak fitting program. Journal of applied crystallography, 43(5), 1126-1128.
Cite this Article:
International Journal of Sciences is Open Access Journal.
This article is licensed under a Creative Commons Attribution 4.0 International (CC BY 4.0) License.
Author(s) retain the copyrights of this article, though, publication rights are with Alkhaer Publications.