Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative
dc.creator | Rodrigues, Rosemberg Fortes Nunes | |
dc.creator | Almeida, Leonardo Rodrigues de | |
dc.creator | Santos, Florisberto Garcia dos | |
dc.creator | Carvalho JĂșnior, Paulo de Sousa | |
dc.creator | Souza, Wanderson Costa | |
dc.creator | Moreira, Kleber S. | |
dc.creator | Aquino, Gilberto L. B. de | |
dc.creator | Valverde, Clodoaldo | |
dc.creator | Napolitano, Hamilton Barbosa | |
dc.creator | Baseia, Basilio | |
dc.date.accessioned | 2023-04-20T14:16:21Z | |
dc.date.available | 2023-04-20T14:16:21Z | |
dc.date.issued | 2017 | |
dc.description.abstract | In 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.citation | RODRIGUES, 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.doi | https://doi.org/10.1371/journal.pone.0175859 | |
dc.identifier.uri | http://repositorio.bc.ufg.br/handle/ri/22381 | |
dc.language.iso | eng | pt_BR |
dc.publisher.country | Estados unidos | pt_BR |
dc.publisher.department | Instituto de FĂsica - IF (RG) | pt_BR |
dc.rights | Acesso Aberto | pt_BR |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative | pt_BR |
dc.type | Artigo | pt_BR |
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