IЧ спектри н-пентанолу і н-октанолу в рiдкому i твердому станах
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 a...
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| Date: | 2019 |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2019
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| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019193 |
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| Journal Title: | Ukrainian Journal of Physics |
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Ukrainian Journal of Physics| Summary: | 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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