Theoretical Investigations of some New Azo Dyes

Azo dyes containing imine linkages are very important compounds in coordinationchemistry. They are extremely used in several fields such as medicinal, pharmaceutical andcoordination chemistry [1-2]. Also, because of the excellent donor properties of azo groups, theycan be formed complexes with cations or bound to anions and used as chemosensors [3-4].Here, to investigate the potential use of some new azo compounds for optical devices such assolar cells, structural and electronic properties, calculations were done at the DFT level whichhas been proven useful in evaluating the electronic structures of these compounds. Finally, theobtained results were corrected the experimental measurements.

کلیدواژه ها:

Azo Dyes ، DFT Calculations