Conclusions
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1.
Calculations were made of the UV spectra of flavone and its OR derivatives. An assignment of the absorption bands of flavonoids was made.
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2.
For the first three electronically excited states, the configurational interaction (CI) encompasses only the occupied 1, 2, 3, and vacant 1*, 2*, 4* orbitals. The molecular orbital 6, with predominant localization of charge on the substituent, does not participate in the CI of the first three excited states.
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3.
Excitation of the investigated molecules is accompanied by a transfer of charge from the oxygen atom, double bond, and carbonyl group to the benzene rings.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, pp. 1294–1298, June, 1974.
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Frolov, Y.L., Sapozhnikov, Y.M., Barer, S.S. et al. Electronic absorption spectra of flavonoids. Russ Chem Bull 23, 1218–1221 (1974). https://doi.org/10.1007/BF00923082
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DOI: https://doi.org/10.1007/BF00923082