The nonlinear optical (NLO) activity of di amine substituted tetraphenylethylene (TPE-di NH2) have been investigated by computed polarizability (α), first order hyperpolarizability (β) and uv-vis experimental results. Structure optimization and calculation of different properties of the probe molecule has been done using density functional theory (DFT). Charge analysis, frontier molecular orbital (FMO) and molecular electrostatic potential (MEP) were investigated by computed results. The NLO activeness is also supported by high value of ionization potential (IP), hardness (η) and smaller energy gap (Δε).

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