Title:	Síntese, caracterização estrutural e espectroscópica de complexos de cobre(ii) e zinco(ii) com ligantes carbazatos
Authors:	Duarte, Eduardo de Assis
Orientador(es)::	Gatto, Claudia Cristina
Assunto::	Carbazatos Difração de raios X Superfície de Hirshfeld Complexos de cobre (II) Zinco
Issue Date:	8-Mar-2022
Data de defesa::	22-Nov-2021
Citation:	DUARTE, Eduardo de Assis. Síntese, Caracterização Estrutural e Espectroscópica de Complexos de Cobre(II) e Zinco(II) com Ligantes Carbazatos. 2021. 140 f., il. Dissertação (Mestrado em Química) — Universidade de Brasília, Brasília, 2021.
Abstract:	The carbazates are a class of ligands classified as Schiff bases, and have been studied in Bioinorganic Chemistry and Coordination Chemistry, due their recognized chelating and pharmacological properties. In this sense, this work describes the synthesis and characterization of five carbazate ligands and their Cu(II) and Zn(II) metal complexes. The ligands being: 2- acetylpyridine-methylcarbazate (Hapmc), 2-acetylpyridine-ethylcarbazate (Hapec), 2- acetylpyridine-benzylcarbazate (Hapbc), 2-hydroxyacetophenone-methylcarbazate (Hhafmc) and 2-hydroxyacetophenone-benzylcarbazate (Hhafbc). Each one of them made possible the synthesis of the following metallic complexes: [Zn(apmc)(CH3COO)(H2O)] (1), [Zn(apec)2] (2), [Zn(apbc)2] (3), [ Cu2(µ-hafmc)2(CH3OH)2] (4) and [Cu(hafbc)]n (5). The structural elucidation of two new carbazates ligands and five new complexes was possible by using single crystal X-ray diffraction. In addition to single crystal X-ray diffraction, elemental analysis of C, H and N, spectroscopic analyzes in the infrared and ultraviolet-visible regions were performed for the synthesized compounds. For the diamagnetic ligands and complexes analysis by nuclear magnetic resonance was performed and all ligands had their chemical structure also studied by mass spectrometry. The complexes derived from 2-acetylpyridine were coordinated by NNO donors, while in complexes derived from 2-hydroxyacetophenone the coordination occurred by ONO donors. In all cases, the complexing agents coordinate with the metal center in a tridentate manner, E-isomer and in its enol tautomer. Using the data obtained by X-ray diffraction analysis, the analysis of the Hirshfeld surface of each one of the elucidated structures was also performed, making it possible to observe and quantify the possible existing interactions.
metadata.dc.description.unidade:	Instituto de Química (IQ)
Description:	Dissertação (mestrado) — Universidade de Brasília, Instituto de Química, Programa de Pós-Graduação em Química, 2021.
metadata.dc.description.ppg:	Programa de Pós-Graduação em Química
Licença::	A concessão da licença deste item refere-se ao termo de autorização impresso assinado pelo autor com as seguintes condições: Na qualidade de titular dos direitos de autor da publicação, autorizo a Universidade de Brasília e o IBICT a disponibilizar por meio dos sites www.bce.unb.br, www.ibict.br, http://hercules.vtls.com/cgi-bin/ndltd/chameleon?lng=pt&skin=ndltd sem ressarcimento dos direitos autorais, de acordo com a Lei nº 9610/98, o texto integral da obra disponibilizada, conforme permissões assinaladas, para fins de leitura, impressão e/ou download, a título de divulgação da produção científica brasileira, a partir desta data.
Agência financiadora:	Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq).
Appears in Collections:	Teses, dissertações e produtos pós-doutorado

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