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dc.creatorLamoureux Lamontagne, Guy
dc.creatorPérez Sánchez, Alice Lorena
dc.creatorAraya Marchena, Mario Esteban
dc.creatorAgüero Robles, Christian Gerardo
dc.date.accessioned2016-09-05T16:07:48Z
dc.date.available2016-09-05T16:07:48Z
dc.date.issued2007-11
dc.identifier.citationhttp://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstract
dc.identifier.issn1099-1395
dc.identifier.urihttps://hdl.handle.net/10669/28885
dc.description.abstractThe 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 frameworkes_ES
dc.language.isoen_USes_ES
dc.sourceJournal of Physical Organic Chemistry, Noviembre 2007, Volumen 21, número 12es_ES
dc.subjectNaphthoquinonees_ES
dc.subjectActive esteres_ES
dc.subjectEnolate alkylationes_ES
dc.titleReactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)es_ES
dc.typeartículo original
dc.identifier.doi10.1002/poc.1435es_ES
dc.description.procedenceUCR::Vicerrectoría de Investigación::Unidades de Investigación::Ciencias Básicas::Centro de Investigaciones en Productos Naturales (CIPRONA)es_ES


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