Estudio DFT de una sal de imidazolio funcionalizada con quinolina

Palabras clave: DFT, Sal de imidazolio, Quinolina, HOMO, LUMO, Densidad electrónica

Resumen

Se diseñó una sal orgánica a base de tris-imidazolio y ligantes quinolícos, como material atractivo para la detección de especies iónicas. Los estudios teóricos revelaron su comportamiento semiconductor. Además, las visualizaciones de los niveles de energía (HOMO y LUMO) permitieron apreciar la distribución de la densidad electrónica sobre los grupos quinolínicos y los sitios positivos que corresponden a los anillos de imidazol.

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Citas

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Publicado
2021-11-26
Cómo citar
Islas-Rodríguez, N., Hernández-Ortiz, O. J., Vázquez-García, R. Ángeles, Reyes-Pérez, M., Rodríguez-Ávila, J. A., & Espinosa-Roa, A. (2021). Estudio DFT de una sal de imidazolio funcionalizada con quinolina. Pädi Boletín Científico De Ciencias Básicas E Ingenierías Del ICBI, 9(Especial2), 47-49. https://doi.org/10.29057/icbi.v9iEspecial2.7992

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