Study of the hyper-Rayleigh scattering first hyperpolarizability of a chalcone derivative in various solvent media
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2019
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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 the DFT/B3LYP/6-311+G(d) level. The behavior of hyper-Rayleigh scattering first hyperpolarizability and average second hyper-polarizability is studied as a function of the dielectric constant of a solvent medium in both dynamic and static cases.
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CASTRO, Adailton N. de; SILVA, Loyanne C. P. da; OSÓRIO, Francisco A. P.; BASEIA, Basilio; VALVERDE, Clodoaldo. Study of the hyper-Rayleigh scattering first hyperpolarizability of a chalcone derivative in various solvent media. Photonics Letters of Poland, Warszawa, v. 11, n. 4. p. 96-98, 2019. DOI: 10.4302/plp.v11i4.892. Disponível em: file:///C:/Users/Usu%C3%A1rio/Downloads/admin,+Journal+manager,+892_JB_KR.pdf. Acesso em: 18 abr. 2023.