Дослідження зарядових хвиль у хромофорі катіонних ціанінових барвників за допомогою 13C ЯМР спектроскопії
The electron density distribution for a series of symmetric and non-symmetric cation cyanine dyes is investigated on the basis of the data of quantum-chemical calculations and NMR (13С) spectra. It isshown that the calculated atomic charges are in good agreement with the experimental values of chemi...
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| Datum: | 2022 |
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| Hauptverfasser: | , , , , , |
| Format: | Artikel |
| Sprache: | Ukrainian English |
| Veröffentlicht: |
Publishing house "Academperiodika"
2022
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| Schlagworte: | |
| Online Zugang: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2022071 |
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| Назва журналу: | Ukrainian Journal of Physics |
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Ukrainian Journal of Physics| Zusammenfassung: | The electron density distribution for a series of symmetric and non-symmetric cation cyanine dyes is investigated on the basis of the data of quantum-chemical calculations and NMR (13С) spectra. It isshown that the calculated atomic charges are in good agreement with the experimental values of chemical shifts. A considerable wave-like alternation of the electron density along the chromophore is found. It is shown that the general electron density distribution represents a superposition of the autolocalized charge and two charge waves generated by the donor finite groups. |
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