Investigation of Charge Waves in the Chromophore of Cation Cyanine Dyes Using 13C NMR Spectroscopy
DOI:
https://doi.org/10.15407/ujpe56.6.516Keywords:
-Abstract
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 is
shown 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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