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Experimental and theoretical investigations of spectroscopie properties of azobenzene derivatives

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Abstract

A series of azobenzenes was studied using ab initio and DFT methods to determine the sub-stituent effects on the ground and electronically excited states. Azobenzene molecule is known to undergo a photoisomerization fWm trans to cis conformation upon irradiation by light. The aim of the presentation is twofold.-firstly, we analyze different methods of calculations of electronic excitations of azobenzene molecule by comparing the results with experimental data. Secondly, we present the results of calculations of the UV-Visible spectra of azobenzene derivatives (e.g. Figure 1) and analyze the nature of the experimentally observed excitations .
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Dates and versions

cea-02341520 , version 1 (31-10-2019)

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  • HAL Id : cea-02341520 , version 1

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Paul Datin, David Carriere, Christophe Fajolles, Jean-Pierre Dognon. Experimental and theoretical investigations of spectroscopie properties of azobenzene derivatives. WATOC 2017, Aug 2017, München, Germany. ⟨cea-02341520⟩
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