A new synthetic thio-chalcone intended as a ligand for polymetallic coordination compounds: Structural, electrochemical and theoretical study

• Autores: F. Brovelli, Ricardo Baggio, L. Álvarez, Y. Moreno
• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 66, Nº. 2, 2021, págs. 5190-5194
• Idioma: inglés
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• Resumen

  • The new chalcone, 1-(PYRIDIN-2-YL)-3-(THIOPHEN-2-YL)PROPENONE, has been synthesized and its crystal and molecular structure determined. An electrochemical characterization of the molecule disclosed some reversible and irreversible processes in its cathodic/anodic reactions. A density functional study was carried out in order to calculate the frontier molecular orbitals and the diffusion coefficient, which showed very good agreement with the experimental data.