Electrochemical and Spectroscopic Investigation of Bioactive Naphthoquinones

The present work aims to investigate the electrochemical behavior of nine naphthoquinones, in aprotic and protic media. The reduction mechanism of the quinones in aprotic medium was proposed, with involvement of anion radical species, confirmed by performing in-situ Electrochemical-Electron Spin Res...

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Bibliographic Details
Published in:International journal of electrochemical science 2012-07, Vol.7 (7), p.6524-6538
Main Authors: de Oliveira Costa, Erivaldo, Molina, María Teresa, de Abreu, Fabiane Caxico, de Assis dos Santos Silva, Francisco, de Oliveira Costa, Cicero, Pinho, Waldomiro, Valentim, Iara B., Aguilera-Venegas, Benjamín, Pérez-Cruz, Fernanda, Norambuena, Ester, Olea-Azar, Claudio, Goulart, Marília O.F.
Format: Article
Language:English
Subjects:
electrochemical reduction
ESR
naphthoquinones
radical dianion
self-protonation
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Summary:The present work aims to investigate the electrochemical behavior of nine naphthoquinones, in aprotic and protic media. The reduction mechanism of the quinones in aprotic medium was proposed, with involvement of anion radical species, confirmed by performing in-situ Electrochemical-Electron Spin Resonance (E-ESR) experiments. Theoretical calculations using DFT method (U)B3LYP/6-31 were developed in order to rationalize the experimental hyperfine coupling constants. The results were in good agreement with the experimental data when solvent effects were included in the DFT models.
ISSN:1452-3981
1452-3981
DOI:10.1016/S1452-3981(23)19500-9