The nature of transitions in electronic absorption spectra of radical cations of dipyrroles with phenylene bridging groups |
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Authors: | K B Petrushenko I K Petrushenko V I Smirnov N V Zorina E Yu Shmidt |
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Institution: | 1.A. E. Favorsky Irkutsk Institute of Chemistry,Siberian Branch of the Russian Academy of Sciences,Irkutsk,Russian Federation |
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Abstract: | The electronic absorption spectra of radical cations of dipyrroles with a phenylene bridge were studied by laser flash photolysis
and quantum chemical methods. Intense absorption bands of the radical cations in the visible region (λmax ≈ 500 nm, εmax > 2 · 104 L mol−1 cm−1) are caused by excitation of electrons from single occupied MOs to the LUMO. In the near IR region, calculations predict
additional, relatively intense (f≈ 0.27–0.29) electronic transitions associated with excitation of electrons from low-lying MOs to the single occupied MO. |
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