Electronic structure and intramolecular photophysical processes of cations of symmetric indopolycarbocyanine dyes |
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| Authors: | O K Bazyl’ V A Svetlichnyĭ V Ya Artyukhov A A Ishchenko |
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| Institution: | (1) Tomsk State University, Tomsk, 354050, Russia;(2) Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Kiev, 02094, Ukraine |
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| Abstract: | The electronic structure, spectra, and rate constants of radiative and nonradiative processes of cations of the vinylogous series of symmetric indopolycarbocyanine dyes are calculated by the semiempirical method of partial neglect of differential overlap. The S 0 → S n absorption spectra are interpreted. The dependences of the efficiency of the deactivation of the fluorescent state on the length of the polymethine chain of cations are analyzed. The quantum yields of the fluorescence from the first and second singlet states are calculated. The calculation results agree satisfactorily with experimental data. |
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