Investigation of Charge Waves in the Chromophore of Cation Cyanine Dyes Using 13C NMR Spectroscopy

Authors

  • O.B. Ryabitzki Institute of Organic Chemistry, Nat. Acad. of Sci. of Ukraine
  • A.V. Stanova Taras Shevchenko National University of Kyiv
  • V.M. Yashchuk Taras Shevchenko National University of Kyiv
  • Yu.L. Slominski Institute of Organic Chemistry, Nat. Acad. of Sci. of Ukraine
  • A.L. Smirnova Institute of Organic Chemistry, Nat. Acad. of Sci. of Ukraine
  • O.D. Kachkovski Institute of Organic Chemistry, Nat. Acad. of Sci. of Ukraine

DOI:

https://doi.org/10.15407/ujpe56.6.516

Keywords:

-

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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Published

2022-02-10

How to Cite

Ryabitzki О., Stanova А., Yashchuk В., Slominski Ю., Smirnova А., & Kachkovski О. (2022). Investigation of Charge Waves in the Chromophore of Cation Cyanine Dyes Using 13C NMR Spectroscopy. Ukrainian Journal of Physics, 56(6), 516. https://doi.org/10.15407/ujpe56.6.516

Issue

Section

Atoms and molecules