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

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

Bibliografiske detaljer
Parent link:	Journal of Physical Chemistry A Vol. 119, iss. 10.— 2015.— [P. 1948–1956]
Institution som forfatter:	Национальный исследовательский Томский политехнический университет (ТПУ) Институт физики высоких технологий (ИФВТ) Кафедра общей и неорганической химии (ОНХ)
Andre forfattere:	Minaev B. F., Valiev R. R. Rashid Rinatovich, Nikonova E. N., Gadirov R. M., Solodova T. A., Kopylova T. N., Tel’minov E. N.
Summary:	Title screen 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 S0 ? S1 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. Режим доступа: по договору с организацией-держателем ресурса
Udgivet:	2015
Fag:	электронный ресурс труды учёных ТПУ
Online adgang:	http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b00394
Format:	Electronisk Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=639981

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