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dc.creatorLamoureux Lamontagne, Guyes_ES
dc.creatorPérez Sánchez, Alice Lorenaes_ES
dc.creatorAraya Marchena, Mario Estebanes_ES
dc.creatorAgüero Robles, Christian Gerardoes_ES
dc.date.accessioned2016-09-05T16:07:48Zes_ES
dc.date.available2016-09-05T16:07:48Zes_ES
dc.date.issued2007-11es_ES
dc.identifier.citationhttp://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstractes_ES
dc.identifier.issn1099-1395es_ES
dc.identifier.urihttp://hdl.handle.net/10669/28885es_ES
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.typeinfo:eu-repo/semantics/articlees_ES
dc.typeArtículo científicoes_ES
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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