Complex formation in liquid diethyl ether-chloroform mixtures examined by 2D correlation MID-IR spectroscopy
| Autor: | A.M. Kutsyk, V.V. Nikonova, Vyacheslav V. Obukhovsky, Yuriy Pilgun, Oleksii Ilchenko |
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| Rok vydání: | 2016 |
| Předmět: |
Chloroform
Absorption spectroscopy Chemistry Hydrogen bond Organic Chemistry Intermolecular force Analytical chemistry 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Spectral line 0104 chemical sciences Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound Density functional theory Diethyl ether 0210 nano-technology Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1124:117-124 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2016.03.035 |
| Popis: | Molecular complexes formation in diethyl ether-chloroform liquid solution is investigated by Mid-IR absorbance spectroscopy. The spectra were measured in spectral ranges of 1000–1550 cm −1 and 2650–3100 cm −1 . 2D correlation analysis of spectral data indicates the presence of a third component in the solution. Excess spectroscopy shows that maximum of complex concentration is concentrated at around of 55% (vol.) of diethyl ether. 2D codistribution analysis supports such conclusion and provides the order of species distribution. Three-components MCR decomposition of spectral data was performed for the determination of concentration and spectral profiles of mixture components. Spectral transformations due to intermolecular interactions are in full agreement with those calculated according to density functional theory with B3LYP functional and cc-pVTz basis set for the case of equimolecular complex. |
| Databáze: | OpenAIRE |
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