2025-03-282025-04-242025-04-242024-11-29MACHADO, Rafael Pereira. Obtenção e estudo cristaloquímico de derivados piridínicos e de metais do grupo 12 e investigação de potencial atividade óptica não linear. 2024. 211 f. Tese (Doutorado em Química) - Universidade Federal de Alfenas, Alfenas, MG, 2024.https://repositorio.unifal-mg.edu.br/handle/123456789/2824Four series of compounds were designed to investigate the potential for nonlinear optical activity, specifically through second harmonic generation (SHG) or two-photon absorption (TPA), with series C and D being unprecedented in the literature. Series B (TPY1 = 4'-(4- fluorophenyl)-2,2':6',2''-terpyridine; TPY3 = 4'-(3,5-bis(trifluoromethyl)phenyl)-2,2':6',2''- terpyridine; and TPY5 = 4'-(pyridin-4-yl)-2,2':6',2''-terpyridine) comprises synthesized organic compounds, characterized and used as ligands in the synthesis of the novel complexes in series C: Hg(TPY1)I2, Hg(TPY3)I2, Cd(TPY1)I2, and Cd(TPY3)I2. In series D, single crystals of four compounds were obtained: LQFM 188, LQFM 190, LQFM 246, and LQFM 337, all of which had their structures determined by X-ray diffraction. LQFM 188 exhibited a noncentrosymmetric chiral space group P212121, a crucial condition for nonlinear optical activity such as second harmonic generation. The obtained compounds were characterized by standard spectroscopic techniques, including ultraviolet-visible absorption spectroscopy, ¹H and ¹³C nuclear magnetic resonance, as well as single-crystal and powder X-ray diffraction.application/pdfAcesso AbertoCristalografiaDerivados piridínicosÓptica não linearQUIMICA::FISICO-QUIMICATeseDoriguetto, Antônio Carlos