Modeling adiabatic potentials flavan and flavonols
The results of model calculations of the geometric structure and vibrational states of flavonols and flavan are presented in thepaper. The model calculations of vibrational states implemented the bases 6-311G *, 6-311G **, 6-311G **. Discrepancies in the position of the bands does not exceed about 20 cm -1. Qualitative evaluation of the intensities are saved.For accurate interpretation of the vibrational spectrum of compounds of flavonoids’kind, indicationssigns of the spectral identification the method of functional density DFT/b3LYPmay be used, as well as those patterns in the behavior of the bands that take place for conjugate six-memberedcycles and substituted benzenes.