Interpretation of Π→Π electronic transmissions in the absorption spectra of flavone and its hydroxy derivatives
The electronic spectra of flavone and its 4′-, 3-, 5-, and 7-monohydroxy derivatives have been calculated by the standard Pople-Pariser-Parr method. The contributions of the fragments to the total molecular excitation have been calculated. It has been shown by computer modeling that the electronic transitions of the flavone spectrum can be reduced to the corresponding transitions of the spectrum of chromone, but not of chalcone. A graphical analysis has been performed of the experimental absorption curves. A four-component system of individual bands in the 230–400 nm region is proposed. Their mutual superposition or resolution is responsible for the features of the spectra of hydroxy-substituted flavones.
KeywordsFlavone Chalcone Menthol Chromone Reductive Amination
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