0372-400Х (Edition in Ukrainian)
2071-0186 (Edition in English)
2071-0194 (in electronic form)
Abbreviated key title: Ukr. J. Phys.
Vasylieva A.1, Doroshenko I.1, Pogorelov V.1, Sablinskas V.2, Balevicius V.2
1 Taras Shevchenko National University of Kyiv
(4, Prosp. Academician Glushkov, Kyiv 03187, Ukraine)
2 Vilnius University
(9-3, Sauletekio, Vilnius 10222, Lithuania)
FTIR Spectra of n-pentanol and n-octanol in Liquid and Solid States
Section: Atoms and molecules
Abstract: Alcohol molecules can form hydrogen bonds and arrange in different structures named clus-ters. 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 spec-troscopy 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 inter-pret the experimental spectra, the quantum-chemical calculations with the use of Gaussian03 software (approximation DFT/B3LYP, 6–31G (d, p) are carried out.
Key words: FTIR Spectra, n-pentanol, n-octanol, cluster structure of alcohols, Gaussian03 software.