Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes

Boris F. Minaev, Rashid R. Valiev, Elena N. Nikonova, Ruslan M. Gadirov, Tatyana A. Solodova, Tatyana N. Kopylova, Eugene N. Tel'minov

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Absorption and fluorescence spectra of the chromene 3 and chromene 13 dyes are studied experimentally and by density functional theory (DFT) including vibronic structure analysis. Vertical electronic absorption spectra are also calculated with the ab initio multiconfiguration method XMC-QDTP2. The vibronic progression for the S<inf>0</inf> S<inf>1</inf> electronic transition is calculated within the Franck-Condon approximation including Dushinsky effect and promoting modes are analyzed. The laser-active solid-state media with high efficiency and long operation time are created implementing the studied dyes. The results of investigation indicate that the studied compounds can be used as effective laser dyes in the red range of visible light.

Original languageEnglish
Pages (from-to)1948-1956
Number of pages9
JournalJournal of Physical Chemistry A
Volume119
Issue number10
DOIs
Publication statusPublished - 12 Mar 2015

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Benzopyrans
Coloring Agents
Optical properties
dyes
absorption spectra
optical properties
Dye lasers
Laser modes
progressions
dye lasers
electronic spectra
Density functional theory
Absorption spectra
Fluorescence
density functional theory
solid state
fluorescence
Lasers
approximation
electronics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Minaev, B. F., Valiev, R. R., Nikonova, E. N., Gadirov, R. M., Solodova, T. A., Kopylova, T. N., & Tel'minov, E. N. (2015). Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes. Journal of Physical Chemistry A, 119(10), 1948-1956. https://doi.org/10.1021/acs.jpca.5b00394

Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes. / Minaev, Boris F.; Valiev, Rashid R.; Nikonova, Elena N.; Gadirov, Ruslan M.; Solodova, Tatyana A.; Kopylova, Tatyana N.; Tel'minov, Eugene N.

In: Journal of Physical Chemistry A, Vol. 119, No. 10, 12.03.2015, p. 1948-1956.

Research output: Contribution to journalArticle

Minaev, BF, Valiev, RR, Nikonova, EN, Gadirov, RM, Solodova, TA, Kopylova, TN & Tel'minov, EN 2015, 'Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes', Journal of Physical Chemistry A, vol. 119, no. 10, pp. 1948-1956. https://doi.org/10.1021/acs.jpca.5b00394
Minaev, Boris F. ; Valiev, Rashid R. ; Nikonova, Elena N. ; Gadirov, Ruslan M. ; Solodova, Tatyana A. ; Kopylova, Tatyana N. ; Tel'minov, Eugene N. / Computational and Experimental Investigation of the Optical Properties of the Chromene Dyes. In: Journal of Physical Chemistry A. 2015 ; Vol. 119, No. 10. pp. 1948-1956.
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