Oxidation of thioanisole using niobium-silica catalysts : theoretical and experimental studies.

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Autor(es): dc.creatorFajardo, Humberto Vieira-
Autor(es): dc.creatorTaylor, Jason Guy-
Autor(es): dc.creatorTeixeira, Moisés Paulo-
Autor(es): dc.creatorChagas, Poliane-
Autor(es): dc.creatorOliveira, Luiz Carlos Alves de-
Autor(es): dc.creatorGonçalves, Matheus A.-
Autor(es): dc.creatorRamalho, Teodorico de Castro-
Autor(es): dc.creatorSilva, Adilson Cândido da-
Data de aceite: dc.date.accessioned2025-08-21T15:37:25Z-
Data de disponibilização: dc.date.available2025-08-21T15:37:25Z-
Data de envio: dc.date.issued2025-02-21-
Data de envio: dc.date.issued2023-
Fonte completa do material: dc.identifierhttps://www.repositorio.ufop.br/handle/123456789/19776-
Fonte completa do material: dc.identifierhttps://link.springer.com/article/10.1007/s10562-023-04525-6-
Fonte completa do material: dc.identifierhttps://doi.org/10.1007/s10562-023-04525-6-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1020000-
Descrição: dc.descriptionCatalysts containing supported metal oxides are very versatile materials used in liquid phase oxidation reactions. The present study aimed to determine the infuence of niobium supported on a silica matrix (SiO2) for the oxidation of thioanisole to methyl phenyl sulfoxide and methyl phenyl sulfone. Characterization of the synthesized Nb5SiO2 and Nb10SiO2 catalysts revealed that although they are not completely crystalline, these microporous materials displayed even niobium dispersion on the SiO2 support whilst containing Lewis and Brönsted acidic sites on their surface. Nb5SiO2 and Nb10SiO2 catalysts showed higher activities compared to pure SiO2 catalyst. Niobium-containing catalysts promoted the subsequent oxidation reaction that converted methyl phenyl sulfoxide to methyl phenyl sulfone. The formation of methyl phenyl sulfone was observed in the presence of niobium-containing catalysts even when using a defciency of H2O2 (0.44 equivalents), whereas the same result could not be achieved for the SiO2 catalyst. The formation of methyl phenyl sulfone occurred in a signifcantly shorter time in the presence of Nb10SiO2, demonstrating the efectiveness of niobium in producing active oxygen species that promote the subsequent reactions. Under the optimized conditions, methyl phenyl sulfoxide could be obtained with 100% conversion and selectivity at room temperature (25 °C) in either acetonitrile or methanol as solvent. Finally, theoreti- cal calculations showed, through energy values, that the niobium-containing catalysts have a lower relative surface energy compared to the pure silica catalyst. The results presented in this research show the potential of the synthesized materials to promote thioanisole catalytic oxidation reactions using hydrogen peroxide as an oxidant.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectNiobium-
Palavras-chave: dc.subjectSilica-
Palavras-chave: dc.subjectThioanisole-
Palavras-chave: dc.subjectOxidation-
Palavras-chave: dc.subjectHydrogen peroxide-
Título: dc.titleOxidation of thioanisole using niobium-silica catalysts : theoretical and experimental studies.-
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