Study of the hyper-Rayleigh scattering first hyperpolarizability of a chalcone derivative in various solvent media

Adailton N. De Castro, Loyanne C. P. Da Silva, Francisco A. P. Osório, Basilio Baseia, Clodoaldo Valverde

Abstract


In this work we investigate the solvent media effects on the nonlinear optical properties of a chalcone derivative, (2E)-3-(3-methylphenyl)-1-(4-nitrophenyl) prop-2-en-1-one (3MPNP), using the polarizable continuum model (PCM) at DFT/B3LYP/6-311+G(d) level. The behavior of the hyper-Rayleigh scattering first hyperpolarizability and the average second hyperpolarizability, are studied as function of the dielectric constant of the solvent medium in both dynamic and static cases.

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