Chemical Reactivity of oxo- and aza-gamma-lactam Rings

Show simple item record Borosky, Gabriela L. Muñoz Izquierdo, Francisco 2019-01-08T12:17:39Z
dc.description.abstract [eng] Different mechanisms for the alkaline hydrolysis of oxo and aza-g-lactam rings have been studied by ab initio calculations at the MP2/6-31¿G*//MP2/6-31¿G* and B3LYP/6-31¿G*//B3LYP/6-31¿G* levels. The tetrahedral intermediate can undergo two different reactions, the cleavage of the C2ÿN2 bond (the classical mechanism) and the cleavage of the C2-X6 bond (X=O, N). Both compounds present similar energy barriers for the classical fragmentation, and show considerably lower barriers for the alternative mechanism. Because of this reactivity, the compounds studied are expected to be beta-lactamase inhibitors.
dc.format application/pdf
dc.relation.isformatof Versió preprint del document publicat a:
dc.relation.ispartof Helvetica Chimica Acta, 2001, vol. 84, p. 526-534
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title Chemical Reactivity of oxo- and aza-gamma-lactam Rings
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/submittedVersion 2019-01-08T12:17:39Z info:eu-repo/date/embargoEnd/2075-01-01
dc.embargo 2075-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess

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