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Optics and Spectroscopy, 2021, Volume 129, Issue 7, Pages 862–870
DOI: https://doi.org/10.21883/OS.2021.07.51077.1902-21
(Mi os97)
 

This article is cited in 3 scientific papers (total in 3 papers)

Spectroscopy of condensed matter

Electronic structure and spectral-fluorescent properties of laser dyes thiopyrylo-4-tricarbocyanines

A. A. Ishchenkoa, I. V. Kurdyukovaa, M. V. Bogdanovichb, S. L. Bondarevb, A. A. Ramanenkob, A. G. Ryabtsevb, G. I. Ryabtsevb

a Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Kyiv
b B. I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk
Full-text PDF (658 kB) Citations (3)
Abstract: It was found that the long-wavelength absorption band of the laser dye IR 1061 and its analogue with an unsubstituted polymethine chain is strongly broadened and decreases in intensity in polar solvents, while the fluorescence band remains narrow and practically does not change in a wide range of solvent polarities. Based on the quantum-chemical calculations of these dyes by the ab initio DFT/B3LYP/6-31G (d,p) and TDDFT methods, taking into account the polarity of the medium by the PCM method, it is shown that the reason for this difference is the weakening of solvation in the fluorescent state as compared to the ground state due to the greater equalization of the charge in the first than in the latter. An increase in the alternation of bond orders in the polymethine chain in the fluorescent state was found, which causes an increase of vibronic interactions in the radiative transition as compared to the absorptive one. Spectral effects caused by a change in the angle of rotation of phenyl groups in the thiopyrylium cycle upon excitation have been analyzed.
Keywords: thiopyrylo-4-tricarbocyanines, spectral-luminescent properties, solvation, DFT/B3LYP/6-31G (d, p)- and TDDFT calculations, PCM method.
Funding agency Grant number
National Academy of Sciences of Ukraine 02-03-20
National Academy of Sciences of Belarus, Ministry of Education of the Republic of Belarus Ф20УКА-010
This work was carried out within the framework of a joint research project of the National Academy of Sciences of Ukraine (project no. 02-03-20) and the National Academy of Sciences of Belarus (project no. F20UKA–010).
Received: 11.02.2021
Revised: 11.02.2021
Accepted: 02.04.2021
English version:
Optics and Spectroscopy, 2021, Volume 129, Issue 8, Pages 926–934
DOI: https://doi.org/10.1134/S0030400X21070080
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: A. A. Ishchenko, I. V. Kurdyukova, M. V. Bogdanovich, S. L. Bondarev, A. A. Ramanenko, A. G. Ryabtsev, G. I. Ryabtsev, “Electronic structure and spectral-fluorescent properties of laser dyes thiopyrylo-4-tricarbocyanines”, Optics and Spectroscopy, 129:7 (2021), 862–870; Optics and Spectroscopy, 129:8 (2021), 926–934
Citation in format AMSBIB
\Bibitem{IshKurBog21}
\by A.~A.~Ishchenko, I.~V.~Kurdyukova, M.~V.~Bogdanovich, S.~L.~Bondarev, A.~A.~Ramanenko, A.~G.~Ryabtsev, G.~I.~Ryabtsev
\paper Electronic structure and spectral-fluorescent properties of laser dyes thiopyrylo-4-tricarbocyanines
\jour Optics and Spectroscopy
\yr 2021
\vol 129
\issue 7
\pages 862--870
\mathnet{http://mi.mathnet.ru/os97}
\crossref{https://doi.org/10.21883/OS.2021.07.51077.1902-21}
\elib{https://elibrary.ru/item.asp?id=46489894}
\transl
\jour Optics and Spectroscopy
\yr 2021
\vol 129
\issue 8
\pages 926--934
\crossref{https://doi.org/10.1134/S0030400X21070080}
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  • This publication is cited in the following 3 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Optics and Spectroscopy Optics and Spectroscopy
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