Linear and Nonlinear Optical Properties of Functional Groups for Conjugated Polymers. Analysis of the Acceptor–Donor Pair Substituents of Benzene: The Case of meta-Nitroaniline
Abstract:The nonlinear optical (NLO) properties of meta-nitroaniline (m-NA) are evaluated via Huckel−Agrawal's approximation in a solvent environment. In this context, both the 1 B and the intramolecular charge transfer (ICT) electronic transitions are considered. The benzene ring currents on the clockwise or counterclockwise direction and the corresponding Brillouin zone from 0 to π are also considered. Besides, the Bloch equations were applied to a single cell n = 1 defined on the benzene ring. We have considered tha… Show more
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