Experimental and theoretical investigations of spectroscopie properties of azobenzene derivatives
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 .
Domains
Material chemistry
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