Sistema de Eventos Acadêmicos da UFMT, XI Mostra da Pós-Graduação

Tamanho da fonte: 
OPTICAL, ELECTROCHEMICAL, THERMAL PROPERTIES AND TD-DFT CALCULATIONS IN MELDRUM ACID 5-AMINOMETILENE DERIVATIVES
João Antunes Silva, Rodolfo Estupiñán Allan, Luiz Everson Silva, Jorge Brito Faria, Thiago Andrade Toledo, Alexandre Rodrigues Teixeira, Romildo Jerônimo Ramos, Paulo Cavalcante Freire, Ricardo Rodrigues Bento

Última alteração: 30-09-19

Resumo


Meldrum acid and its derivatives have been extensively used as starting materials for the synthesis of many heterocycles, in particular to evaluate their biological activity. The optical, electrochemical and thermal properties of the three Meldrum acid derivatives: 5-[(4,6-dimethylpyridin-2-ylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione (MPYM), 5-[(2-hydroxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (HYM) e 5-[(4-chloro-2-nitrophenylamino) methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CNYM) were investigated combining experimental technique absorption electron spectroscopy (UV-Vis) with time-dependent density functional theory (TD-DFT) calculations, cyclic voltammetry and TG / DTA thermal analysis. In this work it was possible identify the electronic transitions, estimate the optical and electrical band gap, observe the oxidation and reduction processes of the compounds, as well as evaluate the thermal decomposition of Meldrum acid derivatives.


Palavras-chave


TD-DFT; Thermal Analysis; Meldrum acid