Excited state absorption spectra of dissolved and aggregated distyrylbenzene: A TD-DFT state and vibronic analysis

A time-dependent density functional theory study is performed to reveal the excited state absorption (ESA) features of distyrylbenzene (DSB), a prototype π-conjugated organic oligomer. Starting with a didactic insight to ESA based on simple molecular orbital and configuration considerations, the per...

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Veröffentlicht in:	The Journal of chemical physics 2017-07, Vol.147 (3), p.034903-034903
Hauptverfasser:	Oliveira, Eliezer Fernando, Shi, Junqing, Lavarda, Francisco Carlos, Lüer, Larry, Milián-Medina, Begoña, Gierschner, Johannes
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Configuration management Delay time Density functional theory Excitation spectra Molecular orbitals Time dependence
Online-Zugang:	Volltext
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