Planejamento de novas formas cristalinas com propriedades desejadas em óptica não linear através da protonação da trans-1,2-di(4-piridil)etileno

Detalhes bibliográficos
Ano de defesa: 2017
Autor(a) principal: Valdo, Ana Karoline Silva Mendanha lattes
Orientador(a): Martins, Felipe Terra lattes
Banca de defesa: Martins, Felipe Terra, Marques, Ivo de Almeida, Souza, Aparecido Ribeiro de
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Goiás
Programa de Pós-Graduação: Programa de Pós-graduação em Química (IQ)
Departamento: Instituto de Química - IQ (RG)
País: Brasil
Palavras-chave em Português:
Palavras-chave em Inglês:
Área do conhecimento CNPq:
Link de acesso: http://repositorio.bc.ufg.br/tede/handle/tede/7952
Resumo: This work investigates the trending of crystallization in non-centrosymmetric space groups to study second harmonic generation (SGH) in the field of non linear optics. Using trans-1,2-di(4-pyridil)ethylene (BPE) four unpublished compounds were obtain, being them BPEH2Cl2·2H2O (1), BPEH2Br2 (2), BPEH2(H2PO4)2 (3) e BPEH2(H2PO4)2·H3PO4 (4). In these structures was possible to analyse the pattern of formed synthons, which showed to be function of geometry and polarizability and not only of acid strength of acid that generates the counter ion. The structure 1 showed pseudo symmetry and had the space group determined by the combination of observed signal of second harmonic generation and statistical parameters of refinement in different space groups. Under the incidence of LASER with emission on 974 nm it was observed a signal dependent of the incident power in 487 nm for single crystals of these structure, proving the absence of inversion center in 1. All structures were characterized by single-crystal X-ray diffraction (SXRD), with additional caracterizations for structure 1 using the techniques X-ray powder diffraction (PXRD), photoluminescence, measurement of second harmonic generation signal and theorical calculation of SHG effects and eletrical properties.