The structure of liquid alcohols and the temperature dependence of vibrational bandwidth

Pogorelov, V.; Bulavin, L. A.; Doroshenko, I.; Fesjun, O.; Veretennikov, O.

doi:10.1016/j.molstruc.2004.03.003

Cited by 31 publications

(29 citation statements)

References 16 publications

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“…In the future, we are going to study the caloric properties of alcohols. The researches will be based on experimental data, including the data obtained at Taras Shevchenko National University of Kyiv while studying the homologous series of monohydric alcohols from methanol to decanol with the use of vibrational spectroscopy methods [7,8].…”

Section: Introductionmentioning

confidence: 99%

Extraordinary Properties of Alcohols from the Homologous Series of Methanol

2020

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Non-trivial properties of thermodynamic quantities such as the density, the critical and triple point temperatures, and their ratio, as well as the optical and dielectric properties, have been analyzed for primary alcohols from the methanol series. The aim is to reveal relationships among their values measured at the same temperatures for alcohols with different ordinal numbers m’s in the methanol series. It is shown that the non-monotonic character of the temperature dependences of alcohol densities is associated with methanol rather than ethanol, as may seem at first glance. The critical temperature of methanol also deviates from the quasilinear dependence of the critical alcohol temperatures on m. With the growing m, the ratio between the critical and triple-point temperatures for alcohols is shown to tend to the corresponding value for water. Simple linear dependences of the electronic and effective static polarizabilities of alcohol molecules on m are established. The transverse and longitudinal components of the polarizability tensor for alcohol molecules are found. The dipole moments of the closest neighbor molecules in the alcohols are proved to anticorrelate, i.e. to orient in opposite directions.

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Section: Introductionmentioning

confidence: 99%

Extraordinary Properties of Alcohols from the Homologous Series of Methanol

2020

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“…Compounds with intramolecular hydrogen bonds possess lower melting and boiling points and lower viscosity in the liquid state, because the molecules are weakly connected with one another in this case [1]. The study of intra-and intermolecular interactions using Raman spectra and quantum chemical methods makes it possible to evaluate the possibility of the formation of hydrogen bonds in the cases of both monomers (intramolecular hydrogen bonds) and monomer clusters (intermolecular hydrogen bonds) [2][3][4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Aggregation of Molecules in Liquid Ethylene Glycol and Its Manifestation in Experimental Raman Spectra and Non-Empirical Calculations

et al. 2020

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Intra- and intermolecular interactions in liquid ethylene glycol have been studied using the Raman spectroscopy method and non-empirical calculations. The results of non-empirical calculations show that an intermolecular hydrogen bond is formed between the hydrogen atom of the OH group in one ethylene glycol molecule and the oxygen atom in the other molecule. The formation of this bond gives rise to a substantial redistribution of charges between those atoms, which, nevertheless, insignificantly changes the bond length. In the corresponding Raman spectra, the presence of hydrogen bonds between the ethylene glycol molecules manifests itself as the band asymmetry and splitting.

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“…Using vibrational spectroscopy, one can obtain information that is often inaccessible to other experimental methods of research. There are many theoretical and experimental works [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] devoted to the investigation of contributions of intraand intermolecular interactions to the contours of vibrational bands.…”

Section: Introductionmentioning

confidence: 99%

Experimental Study of Raman Spectra of Some Aromatic Hydrocarbons

et al. 2020

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The vibrational spectra of liquid aromatic hydrocarbons – bromobenzene, dioxane, toluene – are studied in a wide frequency range by means of Raman spectroscopy. The manifestation of torsional vibrations of individual groups of atoms is established from the obtained data on the low-frequency spectra. The possibility of using a semiempirical method for calculating the potential barriers of methyl and halide groups in benzene derivatives is shown.

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The structure of liquid alcohols and the temperature dependence of vibrational bandwidth

Cited by 31 publications

References 16 publications

Extraordinary Properties of Alcohols from the Homologous Series of Methanol

Extraordinary Properties of Alcohols from the Homologous Series of Methanol

Aggregation of Molecules in Liquid Ethylene Glycol and Its Manifestation in Experimental Raman Spectra and Non-Empirical Calculations

Experimental Study of Raman Spectra of Some Aromatic Hydrocarbons

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