Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride
Fourier-transform infrared (FTIR) spectra of isopentyl-alcohol dissolved in carbon tetrachloride (CCl<sub>4</sub>) were recorded as a function of concentration and temperature. Dilute isopentyl alcohol/CCl<sub>4</sub> solutions were prepared in alcohol at concentrations of 1,...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-08-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/17/6285 |
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| author | Stefanos Tsigoias Constantine Kouderis Agni Mylona-Kosmas Angelos G. Kalampounias |
| author_facet | Stefanos Tsigoias Constantine Kouderis Agni Mylona-Kosmas Angelos G. Kalampounias |
| author_sort | Stefanos Tsigoias |
| collection | DOAJ |
| description | Fourier-transform infrared (FTIR) spectra of isopentyl-alcohol dissolved in carbon tetrachloride (CCl<sub>4</sub>) were recorded as a function of concentration and temperature. Dilute isopentyl alcohol/CCl<sub>4</sub> solutions were prepared in alcohol at concentrations of 1, 0.5, 0.3, 0.2, 0.1, 0.05, 0.02, 0.01, 0.005, 0.001 and 0.0005 M. Infrared absorption measurements were taken within a temperature range of 17–67 °C below the boiling point of the solutions. Decomposition of the spectral features corresponding to associated and unassociated species was performed to quantitatively follow the effect of temperature and concentration on intermolecular hydrogen bonding (HB) in isopentyl alcohol. The spectral feature in the 3600–3650 cm<sup>−1</sup> frequency range attributed to the free OH stretching band was studied in detail to determine changes based on concentration and temperature variations. Computational methodologies were applied to evaluate the energetics and vibrational properties of the species involved in the structure in the gaseous state where no interactions are present. The results are discussed in view of relevant structural models to gain quantitative information concerning the effect of concentration and temperature on intermolecular hydrogen bonding. |
| first_indexed | 2024-03-10T23:17:33Z |
| format | Article |
| id | doaj.art-97f7ed4ac27342a2be4e84f802a66b22 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T23:17:33Z |
| publishDate | 2023-08-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj.art-97f7ed4ac27342a2be4e84f802a66b222023-11-19T08:33:50ZengMDPI AGMolecules1420-30492023-08-012817628510.3390/molecules28176285Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon TetrachlorideStefanos Tsigoias0Constantine Kouderis1Agni Mylona-Kosmas2Angelos G. Kalampounias3Department of Chemistry, University of Ioannina, GR-45110 Ioannina, GreeceDepartment of Chemistry, University of Ioannina, GR-45110 Ioannina, GreeceDepartment of Chemistry, University of Ioannina, GR-45110 Ioannina, GreeceDepartment of Chemistry, University of Ioannina, GR-45110 Ioannina, GreeceFourier-transform infrared (FTIR) spectra of isopentyl-alcohol dissolved in carbon tetrachloride (CCl<sub>4</sub>) were recorded as a function of concentration and temperature. Dilute isopentyl alcohol/CCl<sub>4</sub> solutions were prepared in alcohol at concentrations of 1, 0.5, 0.3, 0.2, 0.1, 0.05, 0.02, 0.01, 0.005, 0.001 and 0.0005 M. Infrared absorption measurements were taken within a temperature range of 17–67 °C below the boiling point of the solutions. Decomposition of the spectral features corresponding to associated and unassociated species was performed to quantitatively follow the effect of temperature and concentration on intermolecular hydrogen bonding (HB) in isopentyl alcohol. The spectral feature in the 3600–3650 cm<sup>−1</sup> frequency range attributed to the free OH stretching band was studied in detail to determine changes based on concentration and temperature variations. Computational methodologies were applied to evaluate the energetics and vibrational properties of the species involved in the structure in the gaseous state where no interactions are present. The results are discussed in view of relevant structural models to gain quantitative information concerning the effect of concentration and temperature on intermolecular hydrogen bonding.https://www.mdpi.com/1420-3049/28/17/6285hydrogen bondingisopentyl alcoholFTIRDFTassociated fluids |
| spellingShingle | Stefanos Tsigoias Constantine Kouderis Agni Mylona-Kosmas Angelos G. Kalampounias Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride Molecules hydrogen bonding isopentyl alcohol FTIR DFT associated fluids |
| title | Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride |
| title_full | Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride |
| title_fullStr | Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride |
| title_full_unstemmed | Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride |
| title_short | Intermolecular Hydrogen Bonding in Associated Fluids: The Case of Isopentyl Alcohol Dissolved in Carbon Tetrachloride |
| title_sort | intermolecular hydrogen bonding in associated fluids the case of isopentyl alcohol dissolved in carbon tetrachloride |
| topic | hydrogen bonding isopentyl alcohol FTIR DFT associated fluids |
| url | https://www.mdpi.com/1420-3049/28/17/6285 |
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