Prediction Electronic and Physical Properties of Nano Structures; Topological Index Method

The production of electronic components on Nano scale is almost impossible due to various limitations and restrictions. Therefore, the scientists' attention to small pieces on natural scale in recent years resulted in the emergence of Nano-structures in electronic. Linear Acenes, with the chemical formula of C4n+2 H2n+4, are a family of Organic Molecules which have absorbed attention in electronic Molecules and Nano scale. However, examining their electronic and optic features, especially when the number of rings is more than 6, is extremely costly and expensive. This study aims at presenting a model to predict electro-optic features of Linear Acenes through Topologic Index Method. The Topologic Index of a Molecular graph is a number which describes molecule characteristics. Multiplicative First Zagreb Index is one of the Topologic Indices which was examined and measured in Linear Acenes Family. Then, through measuring Ionization Energy and Electron Affinity Energy for some members of the family and comparing them with the findings of authentic researches, we were able to present an affective model for predicting electronic and optic features of Acenes.