Physical and Electro-Optical Properties of Rylenes as Nanostructures Using Topological Indices Method

Molecular electronic is a branch of science based on Nano-technology with multiple applications in electronic industry in which organic molecules are investigated. Rylenes is a family of organic molecules with the chemical formula of C10nH4n+4 which are focused in molecular electronic. Since recognizing and examining this family of Nano-structures needs much time and money, the presence of an appropriate pattern to predict electronic properties is very beneficial; Topological Indices Method (TIM) is a cheap and useful approach to reach this goal. In this work a theorem is made for the calculation of the RRR index in Rylenes and then is proved it. Rylenes electro-optical properties were calculated using the Gaussian 09 software in order to presented a model for prediction of the Rylenes electro-optical properties using TIM method. Ionization Energy, Binding Energy, Gap Energy and Electron Affinity Energy of Rylenes are calculated using TIM method and the results are compared with verified results. One can see the results are in good agreement. Finally the electro-optical properties are predicted for some heavier members in the Rylenes family.