Artículo

Jara, G.E.; Solis, C.A.; Gsponer, N.S.; Torres, J.J.; Glusko, C.A.; Previtali, C.M.; Pierini, A.B.; Vera, D.M.A.; Chesta, C.A.; Montejano, H.A. "An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen" (2015) Dyes and Pigments. 112:341-351
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Abstract:

We revisited the photophysics the Methylene Violet (MV) Bernthsen dye in aprotic solvents to rationalize both its peculiar solvatochromism, which cannot be explained by the standard solvatochromic empirical models, and the large dependence of its excited states decay kinetics upon changes on the polarity of the medium. To this end, MV singlet and triplet excited states were characterized by stationary and time-resolved absorption and emission techniques. The experimental information was combined with a detailed theoretical study using TD-DFT to characterize not only the emitting states but also all dark states which would play a role in determining the fate and properties of the experimentally populated excited states. It is concluded that owning to both the high permanent dipole and polarizability of MV, singlet and triplet excited states are stabilized by the medium to a very different extent, leading to an unusual solvatochromism and decay kinetics. © 2014 Elsevier Ltd. All rights reserved.

Registro:

Documento: Artículo
Título:An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen
Autor:Jara, G.E.; Solis, C.A.; Gsponer, N.S.; Torres, J.J.; Glusko, C.A.; Previtali, C.M.; Pierini, A.B.; Vera, D.M.A.; Chesta, C.A.; Montejano, H.A.
Filiación:INQUIMAE-CONICET, Departamento de Química Inorgánica, Ciudad Universitaria, Buenos Aires, Argentina
Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de Rio Cuarto, 5800 Río-Cuarto, Argentina
INFIQC, Departamento de Química Orgánica, Ciudad Universitaria, X5000HUA Córdoba, Argentina
Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar Del Plata, Funes 3350, B7602AYL Mar del Plata, Argentina
Palabras clave:Non-radiative decay; Pull-push chromophore; Solvatochromism; Stoke's shifts; TD-DFT; Transient spectra; Chromophores; Nonradiative decays; Solvatochromisms; Stoke's shift; TD-DFT; Transient spectra; Excited states
Año:2015
Volumen:112
Página de inicio:341
Página de fin:351
DOI: http://dx.doi.org/10.1016/j.dyepig.2014.07.022
Título revista:Dyes and Pigments
Título revista abreviado:Dyes Pigm.
ISSN:01437208
CODEN:DYPID
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01437208_v112_n_p341_Jara

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Citas:

---------- APA ----------
Jara, G.E., Solis, C.A., Gsponer, N.S., Torres, J.J., Glusko, C.A., Previtali, C.M., Pierini, A.B.,..., Montejano, H.A. (2015) . An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen. Dyes and Pigments, 112, 341-351.
http://dx.doi.org/10.1016/j.dyepig.2014.07.022
---------- CHICAGO ----------
Jara, G.E., Solis, C.A., Gsponer, N.S., Torres, J.J., Glusko, C.A., Previtali, C.M., et al. "An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen" . Dyes and Pigments 112 (2015) : 341-351.
http://dx.doi.org/10.1016/j.dyepig.2014.07.022
---------- MLA ----------
Jara, G.E., Solis, C.A., Gsponer, N.S., Torres, J.J., Glusko, C.A., Previtali, C.M., et al. "An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen" . Dyes and Pigments, vol. 112, 2015, pp. 341-351.
http://dx.doi.org/10.1016/j.dyepig.2014.07.022
---------- VANCOUVER ----------
Jara, G.E., Solis, C.A., Gsponer, N.S., Torres, J.J., Glusko, C.A., Previtali, C.M., et al. An experimental and TD-DFT theoretical study on the photophysical properties of Methylene Violet Bernthsen. Dyes Pigm. 2015;112:341-351.
http://dx.doi.org/10.1016/j.dyepig.2014.07.022