Excited States of Six Anthocyanidin Variants with Different Solvents as Dye Sensitizers for Photocatalysis

Anthocyanidins in the gas phase and under the effects of solvents such as water, ethanol, n-hexane, and methanol have been studied using DFT and TDDFT electronic structure calculations for applications as natural dyes in photocatalysis. The results include HOMO and LUMO orbitals, HOMO-LUMO gap, chem...

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Autores principales: Barraza-Jiménez, Diana, Flores-Hidalgo, Hugo Iván, Torres-Herrera, Sandra Iliana, Olvera-Corral, Raúl Armando, Flores-Hidalgo, Manuel Alberto
Formato: Capítulo de libro
Lenguaje:inglés
Publicado: IntechOpen 2022
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Acceso en línea:https://www.intechopen.com/chapters/84787
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