FTIR spectra of homologous series of monohydric alcohols which belong to the class of partly ordered liquids were registered. e molecules of monohydric alcohols containing hydroxyl group are able to form hydrogen-bonded clusters in the condensed phase. e existence of clusters is clearly observed from the position and the contour of the stretch OH band in the vibrational spectra of liquid alcohols. In this work, the experimentally registered FTIR spectra of liquid n-alcohols from methanol to decanol are presented as well as the same spectra of methanol, ethanol, propanol, butanol, pentanol, and hexanol in gas phase.
Low-temperature infrared absorption spectra are obtained for ethanol isolated in an argon matrix at temperatures of 20-45 K range for ratios of the numbers of the molecules being studied to the numbers of matrix atoms of 1:1000 and 1:2000. A preliminary interpretation of the spectra is obtained on the basis of the temperature variations in the spectra and published data. The structure of the ethanol conformers, rotational constants, and internal rotation barriers of the methyl and hydroxyl groups are calculated in the B3LYP/cc-pVQZ approximation. The harmonic and anharmonic IR spectra of the gauche-and trans-conformers are calculated in the same approximation. The force fields of the two conformers and the distributions of the potential energy of the normal vibrations are calculated and compared for a general set of dependent coordinates. Anharmonicity effects are taken into account by introducing spectroscopic masses for the hydrogen atoms when calculating the normal vibrations in the harmonic approximation. V
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