Electronic spectra of indolyl radicals: A time-dependent DFT study

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Neutral and cationic indolyl radicals, such as those arising from tryptophan and melatonin, are involved in a variety of physiological situations. Due to their short life times, experimental characterization of these species is incomplete. We have performed density functional theory (DFT) calculatio...

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Autor principal: Crespo, A.
Otros Autores: Turjanski, A.G, Estrin, D.A
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2002
Acceso en línea:Registro en Scopus
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Biblioteca Central Dr. Luis F. Leloir (FCEN) de Universidad de Buenos Aires
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100 1 |a Crespo, A. 
245 1 0 |a Electronic spectra of indolyl radicals: A time-dependent DFT study 
260 |c 2002 
270 1 0 |m Estrin, D.A.; Departamento Quimica Inorganica, Analitica y Quimica Fisica, INQUIMAE-CONICET, Pabellón 2, Buenos Aires, Argentina; email: dario@q1.fcen.uba.ar 
506 |2 openaire  |e Política editorial 
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520 3 |a Neutral and cationic indolyl radicals, such as those arising from tryptophan and melatonin, are involved in a variety of physiological situations. Due to their short life times, experimental characterization of these species is incomplete. We have performed density functional theory (DFT) calculations in order to provide information of the electronic spectral properties of indole, melatonin and tryptophan radical and radical cations. We predict that the neutral and cationic radicals exhibit absorption ranges from 450 to 500 nm and from 520 to 570 nm, respectively. © 2002 Elsevier Science B.V. All rights reserved.  |l eng 
593 |a Departamento de Quimica Inorgánica, Analítica y Química Física, INQUIMAE-CONICET, Pabellón 2, (C1428EHA), Buenos Aires, Argentina 
700 1 |a Turjanski, A.G. 
700 1 |a Estrin, D.A. 
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856 4 0 |u https://doi.org/10.1016/S0009-2614(02)01333-7  |y DOI 
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