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Молекулярні параметри збудженого стану, визначені за спектральним середнім

Молекулярні параметри збудженого стану, визначені за спектральним середнім

The possibility to characterize the electronic excited state of a spectrally active molecule based only on the solvatochromic study of electronic absorption spectra is demonstrated. The values of the regression coefficients given the contribution of universal interactions to the spectral shift and t...

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Bibliographic Details
Main Author: Dorohoi, D. O.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2018
Subjects:
electronic absorption spectra
excited state dipole moment
azobenzene derivatives
Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018008
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Summary:The possibility to characterize the electronic excited state of a spectrally active molecule based only on the solvatochromic study of electronic absorption spectra is demonstrated. The values of the regression coefficients given the contribution of universal interactions to the spectral shift and their theoretically established dependences on the solute molecule microscopic parameters are used. The values of the dipole moment, polarizability, and ionization potential in the ground electronic state of a spectrally active molecule are established by quantum mechanical methods. Two azo dye molecules are chosen in order to exemplify this method.

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