Reactivity and structure of derivatives of 2-hydroxy-1,4-naphthoquinone (lawsone)

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书目详细资料
Autores:	Lamoureux Lamontagne, Guy, Pérez Sánchez, Alice Lorena, Araya Marchena, Mario Esteban, Agüero Robles, Christian Gerardo
格式:	artículo original
Fecha de Publicación:	2007
实物特征:	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
País:	Kérwá
机构:	Universidad de Costa Rica
Repositorio:	Kérwá
OAI Identifier:	oai:kerwa.ucr.ac.cr:10669/28885
在线阅读:	http://onlinelibrary.wiley.com/doi/10.1002/poc.1435/abstract https://hdl.handle.net/10669/28885
Palabra clave:	Naphthoquinone Active ester Enolate alkylation