Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5408194 | Journal of Molecular Liquids | 2017 | 5 Pages |
Abstract
Temperature dependence of 1-decanol FTIR spectra is studied from both sides of melting point with a step of 0.5 °C near the phase transition. Using ab initio quantum-chemistry calculations of different cluster structures, authors show, that solid phase of alcohol is formed by clusters consisting of 3 molecules and liquid phase - by clusters consisting of 5 molecules. Unlike small alcohols, 1-decanol is formed by chain-like clusters. Gradual changes of spectral bands in process of heating are interpreted as a feature of amorphous phase.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Yevhenii Vaskivskyi, Yelyzaveta Chernolevska, Iryna Doroshenko, Olena Doroshenko, Valeriy Pogorelov,