Results of decomposition of vibrational spectra for aqueous ethanol solutions into components in the region of hydroxyl group stretching vibrations are presented. The infrared light absorption and Raman scattering spectra are investigated for alcohol concentrations in the solution changing from 0 to 90 mass %. Methods of higher derivatives and genetic algorithms together with the simplex method are used to investigate the OH stretching vibrational band contour. Independent methods of spectral structure resolution demonstrate good agreement in the number of the major spectral components as well as in the dependences of the peak wavenumbers, band widths, and amplitudes of spectral components on the ethanol concentration in water. The observed changes in the shape of the spectral contour for OH stretching vibration and, therefore, its components are explained in terms of the hydrogen bonding in non-electrolyte/water mixtures.
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References
D. Eisenberg and W. Kauzmann, The Structure and Properties of Water [Russian translation], Gidrometeoizdat, Leningrad (1975).
T. A. Gogolinskaia, S. V. Patsaeva, and V. V. Fadeev, Dokl. Akad. Nauk SSSR, 290, No. 5, 1099–1103 (1986).
S. A. Burikov, T. A. Dolenko, P. A. Velikotnyi, et al., Opt. Spektrosk., 98, No. 2, 275–279.
S. A. Burikov, T. A. Dolenko, S. V. Patsaeva, and V. I. Yuzhakov, Opt. Atmos. Okeana, 22, No. 11, 1082–1088 (2009).
S. Burikov, T. Dolenko, S. Patsaeva, and V. Yuzhakov, Mol. Phys., 108, No. 6, 739–747 (2010).
S. Burikov, T. Dolenko, S. Patsaeva, et al., Mol. Phys., 108, No. 18, 2427–2436 (2010).
Yu. I. Naberukhin, Soros. Obrazov. Zh., No. 5, 41–48 (1996).
G. G. Malenkov, Zh. Strukt. Khim., 47, No. 7, S5–S35 (2006).
L. Saiz, J. A. Padro, and E. Guardia, J. Phys. Chem., B101, 78–86 (1997).
V. P. Belousov and M. Yu. Panov, Thermodynamics of Aqueous Solutions of Non-Electrolytes [in Russian], Khimiya, Leningrad (1983).
L. V. Shupurova, Vestnik. SPbGU, Ser. 4, No. 25, 16 (1994).
D. V. Ageev, S. V. Patsaeva, B. D. Ryzhikov, et al., Zh. Prikl. Spektrosk., 75, No. 5, 640–645, (2008).
S. A. Burikov, T. A. Dolenko, S. V. Patsaeva, and V. I. Yuzhakov, Voda: Khim. Ekol., No. 1, 31–37 (2010).
D. E. Goldberg, Genetic Algorithms in Search, Optimisation, and Machine Learning, Addison-Wesley Publishing Co., Inc. (1989).
J. A. Nelder and R. Mead, Comp. J., 7, 308–313 (1965).
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 38–43, April, 2012.
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Burikov, S.A., Dolenko, T.A., Kurchatov, I.S. et al. Computer analysis of vibrational spectra of aqueous ethanol solutions. Russ Phys J 55, 383–388 (2012). https://doi.org/10.1007/s11182-012-9823-4
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DOI: https://doi.org/10.1007/s11182-012-9823-4