Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)
artículo original
Fecha
2007-11Autor
Lamoureux Lamontagne, Guy
Pérez Sánchez, Alice Lorena
Araya Marchena, Mario Esteban
Agüero Robles, Christian Gerardo
Metadatos
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The structures of two derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone) are examined using the density functional theory (DFT) hybrid functional B3LYP. Using the optimized structure of lawsone acetate, the reactivity of acyl transfer is described. Also, the nucleophilicity of the conjugate base of lawsone is predicted using the conceptual descriptors related to softness within the DFT framework
External link to the item
10.1002/poc.1435Colecciones
- Química [360]