Aggregation of molecules in liquid pyridine and its solutions: Raman spectra and quantum-chemical calculations
| Autor: | F. H. Tukhvatullin, B.G. Hudayberdiev, A.A. Absanov, H. Hushvaktov, A. Jumabaev |
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| Rok vydání: | 2010 |
| Předmět: |
Chemistry
Hydrogen bond Dimer Inorganic chemistry Intermolecular force Condensed Matter Physics Ring (chemistry) Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials symbols.namesake chemistry.chemical_compound Pyridine Materials Chemistry symbols Physical chemistry Molecule Physical and Theoretical Chemistry Raman spectroscopy Electronic band structure Spectroscopy |
| Zdroj: | Journal of Molecular Liquids. 155:67-70 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2010.05.015 |
| Popis: | In solutions of pyridine–propan-2-ol the ring vibration band of the hydrogen-bonded aggregates (H-aggregates) is shifted towards greater frequencies and changes its position with the change of pyridine concentration. The application of the mixture diluting method in a large amount of a neutral solvent (triple mixture) allows one to “resolve” the aggregates band structure. The observed doublet structure of the band is connected with the presence of two types of H-aggregates in liquid mixture. Quantum-chemical calculations confirm the high-frequency shift of 992 cm − 1 band of pyridine in the formation of aggregates with propan-2-ol. Similar calculations for isolated aggregates of pyridine–methyl alcohol show that several types of aggregates are possible including closed three-molecular H-aggregates of pyridine molecule with two molecules of methyl alcohol. Calculations show also that the pyridine molecules can form among themselves a weak dimer aggregate with two intermolecular hydrogen bonds. |
| Databáze: | OpenAIRE |
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