FTIR Spectra of n-Pentanol and n-Octanol in Liquid and Solid States

  • A. Vasylieva Taras Shevchenko National University of Kyiv
  • I. Doroshenko Taras Shevchenko National University of Kyiv
  • V. Pogorelov Taras Shevchenko National University of Kyiv
  • V. Sablinskas Vilnius University
  • V. Balevicius Vilnius University
Keywords: FTIR Spectra, n-pentanol, n-octanol, cluster structure of alcohols, Gaussian03 software

Abstract

Alcohol molecules can form hydrogen bonds and arrange in different structures named clusters. The aim of this work is to study the behavior of a cluster structure of alcohols at phase transitions and to elucidate the structure of clusters in the solid and liquid states.
The objects of investigation are monohydric alcohols n-pentanol (CH2)4CH3–OH and n-octanol (CH2)7CH3–OH. For the structural analysis of the clusters, the matrix isolation FTIR spectroscopy is used, while the spectroscopic studies of the behavior of different clusters at the solid-liquid phase transition are performed in the liquid and solid states. In order to interpret the experimental spectra, the quantum-chemical calculations with the use of Gaussian03 software (approximation DFT/B3LYP, 6–31G (d, p) are carried out.

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Published
2019-01-15
How to Cite
Vasylieva, A., Doroshenko, I., Pogorelov, V., Sablinskas, V., & Balevicius, V. (2019). FTIR Spectra of n-Pentanol and n-Octanol in Liquid and Solid States. Ukrainian Journal of Physics, 60(8), 723. https://doi.org/10.15407/ujpe60.08.0723
Section
Atoms and molecules

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