Estudo sobre a versatilidade do caráter metálico do elemento telúrio contido em sistemas moleculares

• Ano de defesa: 2019
• Autor(a) principal: Londero, Ana Júlia Zimmermann
• Tipo de documento: Dissertação
• Tipo de acesso: Acesso aberto
• Idioma: por
• Instituição de defesa: Universidade Federal de Santa Maria; Brasil; Química; UFSM; Programa de Pós-Graduação em Química; Centro de Ciências Naturais e Exatas
• Palavras-chave em Português: Haletos de ariltelúrio; Caráter metálico; Ligações não covalentes; Difração de raios X; QTAIM; Aryltelurium halides; Metallic character; Non-covalent bonds; X-ray diffraction; CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA
• Link de acesso: http://repositorio.ufsm.br/handle/1/19188

This work presents the synthesis and detailed structural analysis of a series of new complex salts of organotellurium halides with an emphasis on exploring the versatility of the metallic character of the tellurium atom, which exerts different functions, being able to act as cation teluronium or telurate anion. In addition, some of the compounds synthesized are complex salts valence mixed with TeII and TeIV species, such as the compounds [MesTeII(tu)]+[PhTeIVBr4]- (1), [MesTeII(tu)]+[PhTeIVI4]- (2), [PhTeII(tu)2]+[PhTeIVI4]- (4), where Ph = phenyl, Mes = mesityl and tu = thiourea. The compound PhTeII(tu)I (3) was treated with an excess of tin tetraiodide and thiourea to generate the inedited compounds 4 and [I(tu)2]+[PhTeIVI4]- (5). The inedited compound [PhTeIVS2CN(Et2)I]+ [PhTeIVI4]- (6), represents the first complex salt of aryltelurium using the dithiocarbamate ligand. Auxiliary binders containing the sulfur atom were used for the stabilization of the cationic fragments. The synthetic methodology employed was the one-pot reaction system to obtain all compounds present in this work. In order to better understand the nature of the interactions involved in the sphere of coordination of the tellurium atoms and the tendency of the telurate anions to self-assembly, calculations of the theory of the functional density (DFT) and subsequent topological analysis of the distribution of the electronic density based on the quantum theory of atoms in molecules (QTAIM) with the aid of the X-ray experiment for compounds 1 to 5. Besides that, spectroscopic techniques corroborated for the elucidation of molecular characteristics.