A STUDY OF ELECTRONIC STRUCTURE OF AZOBENZENE MOLECULE AND ITS DERIVATIVES

Azobenzene-based conjugate of organic molecules have been known to have a large second order nonlinear optical properties. With this property, the molecules have a promise of potential to be developed into variety photonics devices, Such as optical switching, optical memory, as well as grating. A variation of the nonlinear properties of the molecules cans be controlled by choosing a Suitable of Donor-Acceptor That group attached on both sides of azo dyes. Hence, the study of the molecular structure is Important. Through this study, the Correlation Between its molecular structure and physical properties of cans be found. One of the Important methods to analyze the information about molecular structure is UV / Vis spectroscopy.

The information provided by this method is in the form of the absorption spectra, the which originate from the transition Between electronics in electronics energy level structure of the molecule. In order to interpret the UV / Vis spectra of the molecule, it is Important to study the electronic structure of the molecule.

In this thesis, the Huckel method has been Used to investigate the electronic structure of an azobenzene organic molecule. This approach neglects the repulsive interaction Between electrons. The spectra resulted from the calculation provided a good agreement with the experimental result. Therefore, this study cans simplify the calculation of the electronic structure.