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Variation in Near-Infrared Spectra of Water Containing Polyhydric Alcohol

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Abstract

Near-infrared absorption spectra of aqueous solutions of eleven polyhydric alcohols (nine dihydric alcohols and two trihydric alcohols) at concentrations up to 20% were obtained at 20, 25, and 30 °C. Variations in the band due to O–H stretching vibration overtones of water and alcohol with changes in concentration and temperature were determined by a multivariate curve resolution-alternating least squares analysis, which identified the components of the band causing the spectral variation. The band consisted of three common components almost independent of the alcohol type. The first and the second components are attributed, respectively, to water molecules weakly hydrogen-bonded (or non hydrogen-bonded) and those strongly hydrogen-bonded with other water molecules, while the third component are due to water interacting with the alcohol and to the alcohol itself. The abundance of the first and third components decreased and increased, respectively, as the alcohol concentration increased. In contrast, the abundance of the second component increased initially and then decreased. The initial increase corresponds to the enhancement of hydrogen bonding by hydrophobic interactions. The subsequent decrease is due to an increase in water–alcohol interactions and a decrease in water concentration. The maximum increase in the abundance of the second component depended on the type of alcohol. The increase in abundance was greater for alcohols with larger alkyl groups. In contrast, the increase in abundance of the second component was smaller for alcohols with more hydric groups.

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References

  1. Uchida, N., Yoshimura, N., Takayanagi, M.: Variation of the near-infrared spectrum of water from dissolved salts. J. Solution Chem. 44, 2167–2178 (2015)

    Article  CAS  Google Scholar 

  2. Katsu, S., Yoshimura, N., Takayanagi, M.: Variation in the liquid structure of water upon dissolution of aprotic polar organic compounds as studied by near-infrared spectroscopy. J. Solution Chem. 47, 1202–1213 (2018)

    Article  CAS  Google Scholar 

  3. Kwasniewicz, M., Czarnecki, M.A.: The effect of chain length on mid-infrared and near-infrared spectra of aliphatic 1-alcohols. Appl. Spectrosc. 72, 288–296 (2018)

    Article  CAS  Google Scholar 

  4. Tomza, P., Wrzeszcz, W., Mazurek, S., Szostak, R., Czarnecki, M.A.: Microheterogeneity in binary mixtures of water with CH3OH and CD3OH: ATR-IR spectroscopic, chemometric and DFT studies. Spectrochim. Acta A197, 88–94 (2018)

    Article  Google Scholar 

  5. Tomza, P., Czarnecki, M.A.: Microheterogeneity in binary mixtures of propyl alcohols with water: NIR spectroscopic, two-dimensional correlation and multivariate curve resolution study. J. Mol. Liq. 209, 115–120 (2015)

    Article  CAS  Google Scholar 

  6. Chen, Y., Ozaki, Y., Czarnecki, M.A.: Molecular structure and hydrogen bonding in pure liquid ethylene glycol and ethylene glycol–water mixtures studied using NIR spectroscopy. Phys. Chem. Chem. Phys. 15, 18694–18701 (2013)

    Article  CAS  Google Scholar 

  7. Czarnecki, M.A., Muszynski, A.S., Troczynska, H.: Molecular structure and hydrogen bonding in liquid cyclohexanol and cyclohexanol/water mixtures studied by FT-NIR spectroscopy and DFT calculations. J. Mol. Struct. 974, 60–67 (2010)

    Article  CAS  Google Scholar 

  8. Haufa, K.Z., Czarnecki, M.A.: Effect of temperature and water content on the structure of 1,2-propanediol and 1,3-propanediol: Near-infrared spectroscopic study. Vib. Spectrosc. 51, 80–85 (2009)

    Article  CAS  Google Scholar 

  9. Czarnecki, M.A., Wojtkow, D.: Effect of varying water content on the structure of butyl alcohol/water mixtures: FT-NIR two-dimensional correlation and chemometric studies. J. Mol. Struct. 883–884, 203–208 (2008)

    Article  Google Scholar 

  10. Wojtkow, D., Czarnecki, M.A.: Two-dimensional attenuated total reflection infrared and near-infrared correlation study of the structure of butyl alcohol/water mixtures. Appl. Spectrosc. 61, 928–934 (2007)

    Article  CAS  Google Scholar 

  11. Wojtkow, D., Czarnecki, M.A.: Effect of temperature and concentration on the structure of sec-butyl alcohol and isobutyl alcohol/water mixtures: near-infrared spectroscopic study. J. Phys. Chem. A 110, 10552–10557 (2006)

    Article  CAS  Google Scholar 

  12. Wojtkow, D., Czarnecki, M.A.: Effect of temperature and concentration on the structure of tert-butyl alcohol/water mixtures: near-infrared spectroscopic study. J. Phys. Chem. A 109, 8218–8224 (2005)

    Article  CAS  Google Scholar 

  13. Li, Q., Wang, N., Zhou, Q., Sun, S., Yu, Z.: Excess infrared absorption spectroscopy and its applications in the studies of hydrogen bonds in alcohol-containing binary mixtures. Appl. Spectrosc. 62, 166–170 (2008)

    Article  CAS  Google Scholar 

  14. Koga, Y., Sebe, F., Minami, T., Otake, K., Saitow, K., Nishikawa, K.: Spectrum of excess partial molar absorptivity. I. Near infrared spectroscopic study of aqueous acetonitrile and acetone. J. Phys. Chem. B 113, 11928–11935 (2009)

    Article  CAS  Google Scholar 

  15. de Juan, A., Tauler, R.: Chemometrics applied to unravel multicomponent processes and mixtures. Revisiting latest trends in multivariate resolution. Anal. Chim. Acta 500, 195–210 (2003)

    Article  Google Scholar 

  16. Garrido, M., Rius, F.X., Larrechi, M.S.: Multivariate curve resolution–alternating least squares (MCR-ALS) applied to spectroscopic data from monitoring chemical reactions processes. Anal. Bioanal. Chem. 390, 2059–2066 (2008)

    Article  CAS  Google Scholar 

  17. Keller, H.R., Massart, D.L.: Evolving factor analysis. Chemom. Intell. Lab. Syst. 12, 209–224 (1992)

    Article  CAS  Google Scholar 

  18. Jaumota, J., Gargalloa, R., de Juana, A., Tauler, R.: A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLAB. Chemom. Intell. Lab. Syst. 76, 101–110 (2005)

    Article  Google Scholar 

  19. Beć, K.B., Futami, Y., Wójcikd, M.J., Ozaki, Y.: A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols. Phys. Chem. Chem. Phys. 18, 13666–13682 (2016)

    Article  Google Scholar 

  20. Grabska, J., Beć, K.B., Ozaki, Y., Huck, C.W.: Temperature drift of conformational equilibria of butyl alcohols studied by near-infrared spectroscopy and fully anharmonic DFT. J. Phys. Chem. A 121, 1950–1961 (2017)

    Article  CAS  Google Scholar 

  21. Beć, K.B., Grabska, J., Huck, C.W., Czarnecki, M.A.: Spectra–structure correlations in isotopomers of ethanol (CX3CX2OX; X = H, D): combined near-infrared and anharmonic computational study. Molecules 24, 2189 (2019)

    Article  Google Scholar 

  22. Maeda, H., Ozaki, Y., Tanaka, M., Hayashi, N., Kojima, T.: Near infrared spectroscopy and chemometrics studies of temperature-dependent spectral variations of water: relationship between spectral changes and hydrogen bonds. J. Near Infrared Spectrosc. 3, 191–201 (1995)

    Article  CAS  Google Scholar 

  23. George, J., Sastry, N.V.: Partial excess molar volumes, partial excess isentropic compressibilities and relative permittivities of water + ethane-1,2-diol derivative and water + 1,2-dimethoxyethane at different temperatures. Fluid Phase Equilib. 216, 307–321 (2004)

    Article  CAS  Google Scholar 

  24. Huot, J.-Y., Battistel, E., Lumry, R., Villeneuve, G., Lavallee, J.-F., Anusiem, A., Jolicoeur, C.: A comprehensive thermodynamic investigation of water-ethylene glycol mixtures at 5, 25, and 45°C. J. Solution Chem. 17, 601–636 (1988)

    Article  CAS  Google Scholar 

  25. Okajima, H., Ando, M., Hamaguchi, H.: Formation of “nano-ice” and density maximum anomaly of water. Bull. Chem. Soc. Jpn. 91, 991–997 (2018)

    Article  CAS  Google Scholar 

  26. Cheng, D., Cai, W., Shao, X.: Understanding the interaction between oligopeptide and water in aqueous solution using temperature-dependent near-infrared spectroscopy. Appl. Spectrosc. 72, 1354–1361 (2018)

    Article  CAS  Google Scholar 

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Funding

This study was funded only by Tokyo University of Agriculture and Technology.

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Authors and Affiliations

  1. Graduate School of Agriculture, Tokyo University of Agriculture and Technology, 3-5-8, Saiwai-cho, Fuchu, Tokyo, 183-8509, Japan

    Sayaka Katsu & Shori Ito

  2. United Graduate School of Agricultural Science, Tokyo University of Agriculture and Technology, 3-5-8, Saiwai-cho, Fuchu, Tokyo, 183-8509, Japan

    Norio Yoshimura & Masao Takayanagi

Authors
  1. Sayaka Katsu
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  2. Shori Ito
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  3. Norio Yoshimura
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  4. Masao Takayanagi
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Correspondence to Masao Takayanagi.

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Katsu, S., Ito, S., Yoshimura, N. et al. Variation in Near-Infrared Spectra of Water Containing Polyhydric Alcohol. J Solution Chem 48, 1564–1575 (2019). https://doi.org/10.1007/s10953-019-00928-5

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  • DOI: https://doi.org/10.1007/s10953-019-00928-5

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