Abstract
The possibility of developing a combined IR-UV-photochemical method of the standardless spectral analysis of a mixture of isomers with similar properties is theoretically justified and a possible method of such analysis is proposed. The necessary condition of the natural design and implementation of the method is carrying out computer experiments based on the theory and methods of calculation of IR and vibronic spectra and the kinetics and quantum yields of photochemical reactions. The efficiency of the inclusion of photochemical transformations of molecules into the analytical procedure is demonstrated. By the arising time dependences of the spectra one can detect the presence of different components in the mixtures and their amounts and extract the corresponding spectral components from the total spectra. This gives a chance to use the elaborated standard methods qualitative and quantitative standardless analysis at the next following stage.
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Gribov, L.A., Zh. Anal. Khim., 1995, vol. 50, no. 6, p. 589.
Baranov, V.I. and Gribov, L.A., J. Anal. Chem., 1999, vol. 54, no. 4, p. 307.
Gribov, L.A., Baranov, V.I., and Elyashberg, M.E., Bezetalonnyi molekulyarnyi spektral’nyi analiz. Teoreticheskie osnovy (Standardless Molecular Spectral Analysis: Theoretical Foundations), Moscow: Editorial URSS, 2002.
Gribov, L.A., Elyashberg, M.E., and Karasev, Yu.Z., Anal. Chim. Acta, 1995, vol. 316, p. 217.
Elyashberg, M.E., Gribov, L.A., Karasev, Yu.Z., and Martirosian, E.R., Anal. Chim. Acta, 1997, vol. 353, p. 105.
Gribov, L.A., Sidelov, D.I., and Maslov, I.V., J. Anal. Chem., 1998, vol. 53, no. 7, p. 621.
Baranov, V.I., Gribov, L.A., and Dzhenzher, V.O., Zh. Strukt. Khim., 1996, vol. 37, no. 3, p. 419.
Gribov, L.A., Baranov, V.I., and Astakhov, S.A., Doklady, 2000, vol. 374, nos. 4–6, p. 203.
Astakhov, S.A., Baranov, V.I., and Gribov, L.A., J. Anal. Chem., 2001, vol. 56, no. 7, p. 625.
Baranov, V.I., Zavalii, M.V., and Gribov, L.A., Zh. Prikl. Spectrosk., 2003, vol. 70, p. 626.
Baranov, V.I., Zavalii, M.V., and Gribov, L.A., Zh. Prikl. Spectrosk., 2004, vol. 71, no. 3, p. 295.
Gribov, L.A., Baranov, V.I., and Zavalii, M.V., Dokl. Ross. Akad. Nauk, 2004, vol. 397, no. 6, p. 447.
Gribov, L.A., Dement’ev, V.A., Zavalii, M.V., and Baranov, V.I., Zh. Strukt. Khim., 2005, vol. 46, no. 2, p. 303.
Gribov, L.A. and Baranov, V.I., J. Anal. Chem., 2009, vol. 64, no. 5, p. 445.
Nemodruk, A.A and Bezrogova, E.V., Fotokhimicheskie reaktsii v analiticheskoi khimii (Photochemical Reactions in Analytical Chemistry), Moscow: Khimiya, 1972.
Dodin, E.I., Fotokhimicheskii analiz (Photochemical Analysis), Moscow: Metallurgiya, 1979.
Gribov, L.A., J. Anal. Chem., 2011, vol. 66, no. 3, p. 241.
Baranov, V.I., Gribov, L.A., Dridger, V.E., Iskhakov, M.Kh., and Mikhailov, I.V., Khim. Vys. Energ., 2009, vol. 43, no. 5, p. 416.
Baranov, V.I., Gribov, L.A., Dridger, V.E., Iskhakov, M.Kh., and Mikhailov, I.V., Khim. Vys. Energ., 2009, vol. 43, no. 6, p. 545.
Baranov, V.I., Gribov, L.A., Dridger, V.E., and Mikhailov, I.V., Khim. Vys. Energ., 2010, vol. 44, no. 3, p. 209.
Baranov, V.I., Gribov, L.A., Iskhakov, M.Kh., and Mikhailov, I.V., Khim. Vys. Energ., 2010, vol. 44, no. 4, p. 307.
Gribov, L.A. and Baranov, V.I., Khim. Vys. Energ., 2010, vol. 44, no. 6, p. 496.
Gribov, L.A., Baranov, V.I., and Zelentsov, D.Yu., Elektronno-kolebatel’nye spektry mnogoatomnykh molekul: Teoriya i metody rascheta (Electronic-Vibrational Spectra of Polyatomic Molecules: Theory and Methods of Calculation), Moscow: Nauka, 1997.
Gribov, L.A. and Baranov, V.I., Teoriya i metody rascheta molekulyarnykh protsessov: spektry, khimicheskie prevrashcheniya i molekulyarnaya logika (Theory and Methods of Calculating the Molecular Processes: Spectra, Chemical Transformations and Molecular Logic), Moscow: KomKniga, 2006.
Gribov, L.A., Baranov, V.I., and Novosadov, B.K., Metody rascheta elektronno-kolebatel’nykh spektrov mnogoatomnykh molekul (Methods for Calculating the Electronic-Vibrational Spectra of Polyatomic Molecules), Moscow: Nauka, 1994.
Gantmakher, F.R., Lektsii po analiticheskoi mekhanike (Lectures on Analytical Mechanics), Moscow: Nauka, 1966.
Gribov, L.A., Baranov, V.I., and Poteshnyi, D.I., J. Anal. Chem., 2011, vol. 66, no. 2, p. 112.
Calvert, J.G. and Pitts, J.N., Photochemistry, New York: Wiley, 1965.
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Original Russian Text © V.I. Baranov, L.A. Gribov, V.E. Dridger, 2012, published in Zhurnal Analiticheskoi Khimii, 2012, Vol. 67, No. 2, pp. 150–158.
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Baranov, V.I., Gribov, L.A. & Dridger, V.E. Computer modeling of standardless molecular spectral analysis of mixtures. J Anal Chem 67, 114–121 (2012). https://doi.org/10.1134/S1061934812020049
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DOI: https://doi.org/10.1134/S1061934812020049