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Discrete and functional-geometric methods of infrared spectroscopy of minerals using reference samples

  • Methods of Research of Minerals, Rocks, and Ores
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Abstract

Different methods of infrared spectroscopy applied to the analysis of mineral phases using spectra of reference samples are compared. Traditionally (discretely), the IR spectrum is processed as pairs of numbers characterizing frequencies and intensities of separate bands. The major advantage of such an approach is the opportunity to visualize fine crystallochemical features within groups of related minerals. An alternative technique is based on functional-geometric analysis, dealing with the spectral curve as a whole. This approach is based on the minimization of root-mean square deviations and opens up wide possibilities for the identification of minerals by their IR spectra. The crux of the functional-geometric method is the determination of a linear combination of standard spectra with nonnegative coefficients that ensures the best (in terms of integral functional comparison) approximation of the analyzed spectral curve. As a rule, the spectra of minerals with the closest crystallochemical relationships with the examined sample make the greatest contribution to this resolution. Numerous examples of application of the discrete and functional-geometric methods are described.

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Authors and Affiliations

  1. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, 142432, Russia

    N. V. Chukanov, V. A. Dubovitsky, S. A. Vozchikova & S. M. Orlova

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  1. N. V. Chukanov
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  2. V. A. Dubovitsky
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  3. S. A. Vozchikova
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  4. S. M. Orlova
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Correspondence to N. V. Chukanov.

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Original Russian Text © N.V. Chukanov, V.A. Dubovitsky, S.A. Vozchikova, S.M. Orlova, 2008, published in Zapiski Rossiiskogo Mineralogicheskogo Obshchestva, 2008, Pt CXXXVII, No. 1, pp. 77–93.

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Chukanov, N.V., Dubovitsky, V.A., Vozchikova, S.A. et al. Discrete and functional-geometric methods of infrared spectroscopy of minerals using reference samples. Geol. Ore Deposits 50, 815–826 (2008). https://doi.org/10.1134/S1075701508080205

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