Self association of α-tocopherol in solutions. Infrared absorption and theoretical study

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.