RESUMO
Green systems able to capture or fix CO(2) are becoming more important specially to reduce environmental impacts. In this work, the mechanism of insertion of CO(2) into styrene oxide (STYO) both in the absence and presence of the catalyst 1-butyl-3-methyl-imidazolium bromide (BMIm Br) was investigated through calculations based on density functional theory in the ωB97X-D level. Two different routes were considered and it was shown they are energetically available and compete against each other. For both routes, the rate-determinant step is the ring opening of STYO resulting from the nucleophilic attack of the Br(-) on the C atom from STYO and is associated mainly to the participation of the cation and the anion from the catalyst in the reaction. Reactive indices and noncovalent interaction analysis were used as a tool to investigate this reason. This work allowed a better comprehension of the underlying mechanism and the supplied data provide valuable support for the design of new more efficient ionic liquid catalyst.
RESUMO
Neste trabalho foi realizado o estudo da degradação fotoquímica do corante vermelho bordeaux. O estudo objetivou a avaliação de tratamentos alternativos com vistas à aplicação de tecnologias limpas. Os experimentos de fotodegradação foram realizados através da incidência de radiação UV em um compartimento contendo o corante (solução). O tratamento fotoquímico reduziu em 99 por cento a coloração e a concentração da solução contendo o corante vermelho bordeaux.
This paper studied the photochemical degradation of food dye (red dye). The investigation aimed at the assessment of alternative treatments, focusing the use of clean technologies. The photochemical degradation experiments were performed in a compartment with UV radiation (mercury lamp - 250W). The photochemical treatment showed a 99 percent color and concentration reduction in the dye solution.