Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1408985 | Journal of Molecular Structure | 2016 | 8 Pages |
Abstract
The IR spectra of α-tocopherol (α-T) solutions in CCl4 at different concentrations (0.0009-0.5 M) and temperatures from 15 to 50 °C were recorded. The formation of relatively weak and broad red-shifted band arising with increasing of α-T concentration was observed. The band was attributed to the formation of α-T H-bonded oligomers. The resolution of the complex band and DFT calculation of oligomers molecular structure, energy and IR spectra were performed. As a result the experimental IR spectra, equilibrium constants, the most probable structures of oligomers and H-bond energies were found.
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Authors
E.I. Finkelshtein, T.A. Morozova, R.S. Shamsiev, E.A. Belozertseva, E.A. Katsman,