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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.Ö.
dc.contributor.authorDaoudi M.
dc.contributor.authorBen Larbi N.
dc.contributor.authorKerbal A.
dc.contributor.authorBen Hadda T.
dc.date.accessioned2020-06-21T09:24:39Z
dc.date.available2020-06-21T09:24:39Z
dc.date.issued2008
dc.identifier.issn1551-7012
dc.identifier.urihttps://doi.org/10.3998/ark.5550190.0009.b05
dc.identifier.urihttps://hdl.handle.net/20.500.12712/3849
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. ©ARKAT USA, Inc.en_US
dc.language.isoengen_US
dc.publisherArkaten_US
dc.relation.isversionof10.3998/ark.5550190.0009.b05en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectB3LYP calculationsen_US
dc.subjectEthambutol analogueen_US
dc.subjectTautomerismen_US
dc.subjectX-ray structureen_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.volume2008en_US
dc.identifier.issue11en_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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