Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

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dc.creatorRodrigues, Rosemberg Fortes Nunes
dc.creatorAlmeida, Leonardo Rodrigues de
dc.creatorSantos, Florisberto Garcia dos
dc.creatorCarvalho JĂșnior, Paulo de Sousa
dc.creatorSouza, Wanderson Costa
dc.creatorMoreira, Kleber S.
dc.creatorAquino, Gilberto L. B. de
dc.creatorValverde, Clodoaldo
dc.creatorNapolitano, Hamilton Barbosa
dc.creatorBaseia, Basilio
dc.date.accessioned2023-04-20T14:16:21Z
dc.date.available2023-04-20T14:16:21Z
dc.date.issued2017
dc.description.abstractIn this work we determine the linear and non-linear optical properties of a Fluoro-N-Acylhydrazide derivative (FBHZ), using a combined supermolecule approach and an iterative scheme of electrostatic polarization, where the atoms of neighbouring molecules are represented by point charges. Our results for non-linear optics (NLO) are comparable to those found experimentally, suggesting that FBHZ constitutes an attractive object for future studies and for use as an interesting material for third-order NLO applications. The dynamic electrical properties of FBHZ in different solvent media are reported. Its molecular properties are closely related to supramolecular features; accordingly, we analysed all its crystal structure properties via intermolecular interactions in the solid state, using X-ray crystallography data and Hirshfeld surface (HS), including thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and hot-stage microscopy (HSM), where the results reveal crystal stability in respect to temperature variation.pt_BR
dc.identifier.citationRODRIGUES, Rosemberg F. N. et al. Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative. PLoS One, San Francisco, v. 12, e0175859, 2017. DOI: 10.1371/journal.pone.0175859. DisponĂ­vel em: https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0175859. Acesso em: 18 abr. 2023.pt_BR
dc.identifier.doihttps://doi.org/10.1371/journal.pone.0175859
dc.identifier.urihttp://repositorio.bc.ufg.br/handle/ri/22381
dc.language.isoengpt_BR
dc.publisher.countryEstados unidospt_BR
dc.publisher.departmentInstituto de FĂ­sica - IF (RG)pt_BR
dc.rightsAcesso Abertopt_BR
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.titleSolid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivativept_BR
dc.typeArtigopt_BR

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