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B3LYP theoretical calculations and structure of 4-[(2-{[(1E)-1-methyl-3-oxobutylidene]amino}ethyl)imino]pentan-2-one

dc.contributor.authorBenjelloun, O. T.
dc.contributor.authorAkkurt, M.
dc.contributor.authorYildirim, S. Oe.
dc.contributor.authorDaoudi, M.
dc.contributor.authorBen Larbi, N.
dc.contributor.authorKerbal, A.
dc.contributor.authorBen Hadda, T.
dc.date.accessioned2020-06-21T15:17:58Z
dc.date.available2020-06-21T15:17:58Z
dc.date.issued2008
dc.identifier.issn1551-7004
dc.identifier.urihttps://hdl.handle.net/20.500.12712/19521
dc.descriptionWOS: 000260410900005en_US
dc.description.abstractIn this work we present the synthesis 4-[(2-{[(1E)-1-methyl-3-oxobutylidene] amino} ethyl)imino]pentan-2-one. We also propose evidence for the presence of various tautomers for this molecule, and theoretical density functional theory (DFT)-B3LYP/6-31G* calculations to characterize the potential energy surface of these species. NMR, IR, MS techniques and X-ray are also used to analyze the molecule 3 and its tautomeric preferential form.en_US
dc.language.isoengen_US
dc.publisherArkat Usa Incen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectEthambutol analogueen_US
dc.subjecttautomerismen_US
dc.subjectX-ray structureen_US
dc.subjectB3LYP calculationsen_US
dc.titleB3LYP theoretical calculations and structure of 4-[(2-{[(1E)-1-methyl-3-oxobutylidene]amino}ethyl)imino]pentan-2-oneen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.startpage56en_US
dc.identifier.endpage63en_US
dc.relation.journalArkivocen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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