Theoretical and Experimental Spectroscopic Study on 2-Chloro-3-(substitutedphenylamino)-1,4-naphthoquinone Derivatives

The 1,4-naphthoquinones are an important group of compounds intensively studied because of their wide range of biological activities. Four 2-chloro-3-(substituted-phenylamino)- 1,4‑naphthoquinone derivatives were synthesized, and the vibrational modes of these molecules were assigned using Raman and...

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Bibliographic Details
Published in:Journal of the Brazilian Chemical Society 2023, Vol.34 (2), p.242-262
Main Authors: Dias, Flaviana, Campos, Vinícius, de Moraes, Raphael, Souza, Nelson, Cunha, Anna, Lage, Mateus, Ferreira, Glaucio
Format: Article
Language:English
Subjects:
CHEMISTRY, MULTIDISCIPLINARY
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Summary:The 1,4-naphthoquinones are an important group of compounds intensively studied because of their wide range of biological activities. Four 2-chloro-3-(substituted-phenylamino)- 1,4‑naphthoquinone derivatives were synthesized, and the vibrational modes of these molecules were assigned using Raman and Fourier transform infrared spectroscopy (FTIR) techniques. In addition, X-ray studies were performed for one of these derivatives. Density functional theory (DFT) calculations were also developed for these compounds and presented. In summary, the results obtained from these studies can assess chemical changes in the structures of functionalized quinones and the discovery of candidate biologically active compounds.
ISSN:0103-5053
1678-4790
DOI:10.21577/0103-5053.20220104