Photophysical properties of phosphors based on 3-(1,3-benzothiazol-2-yl)-4-hydroxybenzenesulfonic acid

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Resumo

Water-soluble organic phosphors based on 3-(1,3-benzothiazol-2-yl)-4-hydroxybenzene sulphonic acid were first studied experimentally and by density functional theory. The phosphors have differences in chemical structure. For one of them there is a large Stokes shift that results from intramolecular proton transfer in the excited state.

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Sobre autores

E. Parfenova

Siberian Federal University

Autor responsável pela correspondência
Email: katrinfly@bk.ru
Rússia, Krasnoyarsk

N. Slyusarenko

Siberian Federal University

Email: katrinfly@bk.ru
Rússia, Krasnoyarsk

S. Kulagin

OLBO LLC

Email: katrinfly@bk.ru
Rússia, Moscow

A. Rogova

Siberian Federal University

Email: katrinfly@bk.ru
Rússia, Krasnoyarsk

F. Tomilin

Siberian Federal University; Kirensky Institute of Physics – a branch of Krasnoyarsk Scientific Center of the Siberian Branch of the Russian Academy of Sciences

Email: katrinfly@bk.ru
Rússia, Krasnoyarsk; Krasnoyarsk

E. Slyusareva

Siberian Federal University

Email: katrinfly@bk.ru
Rússia, Krasnoyarsk

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2. Fig. 1. Structural formulae of Luminophore 1 (a) and Luminophore 2 (b)

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3. Fig. 2. Absorption and fluorescence spectra of Luminophore 1 (a) and Luminophore 2 (b). Insets: phosphors in daylight (1) and under UV laser excitation (2)

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4. Fig. 3. Correlation of calculated and experimental wavelengths in the absorption (1) and fluorescence (2) spectra of different tautomeric forms of Luminophore 1 (a) and Luminophore 2 (b)

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5. Fig. 4. Atomic structure of Luminophore 1 for conformer 1 (a) and conformer 2 (b), the dotted line shows the interaction with the solvent. Tautomeric forms of Luminophore 2: N*-state (c) and T*-state (d); the circle marks fragments containing differences between the forms; R1, R2, R3 are substituents of the molecule; C, O, H, N and S atoms are coloured blue, red, grey, violet and yellow, respectively. Molecular orbitals for the ground (BZMO) and excited (BZMO) states of tautomers of Luminophore 2: N* - (e), T* - (f)

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