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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.

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Additional information

The extension to the program was kindly provided by V. E. Umanskii and V. F. Pedash.

Khar'kov Scientific-Research Institute of Pharmaceutical Chemistry. Institute of Physical Organic Chemistry and Coal Chemistry, Academy of Sciences of the Ukrainian SSR, Donetsk. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 307–312, May–June, 1981.

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Rybachenko, A.I., Sukhorukov, A.A., Georgievskii, V.P. et al. Interpretation of Π→Π electronic transmissions in the absorption spectra of flavone and its hydroxy derivatives. Chem Nat Compd 17, 234–238 (1981). https://doi.org/10.1007/BF00568509

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  • Flavone
  • Chalcone
  • Menthol
  • Chromone
  • Reductive Amination