Substituted heterocyclic chalcones: Electrochemical, spectroscopic and theoretical study
- Autores: F. Brovelli, D. Toledo, G. Ahumada, Y. Moreno
- Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 67, Nº. 3, 2022, págs. 5662-5666
- Idioma: inglés
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Resumen
We have studied the electronic and electrochemical properties of seven substituted heterocyclic chalcones (CHL 1-6) wich are functionalized with 2-thienyl groups. The phenyl ring of the chalcone scaffold has been substituted in orto or para position with electron donnor and acceptor groups (-F, -NO2, -CH3O). The electrochemical features were analyzed by cyclic voltammetry; irreversible processes were observed and attributed to the oxidation and reduction of the 2-thienyl group and the carbonyl group of the chalcone, respectively. DFT calculations were made to gain more in-depth understanding of their electronic properties. Relatively high HOMO level and low LUMO values were calculated, Eg values computed varies between 3.0-3.29 eV. These values enable us to postulate that these type of compounds are suitable building blocks to fabricate optoelectronic devices.
