General Regularities in the Spectra of the Fundamental Oscillation of Flavonoids
The article considers the predictive capabilities of quantum mechanical methods for molecular dynamics interpretation of the spectrum of the fundamental vibrations of the FLA-vonoids and isoflavonoids. The comparison of the results of model calculations of the spectrum of the fundamental vibrations of 1,4-naphthoquinone and benzo-gamma-pyrone with available experimental data. The overall pattern of the vibrational spectra of benzo-gamma-pyrone, flavone, isoflavone and their replacement compounds is the low intensity of most bands in the range below 1000 cm-1.