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B3LYP Theoretical Calculations and Structure of 4-[(2-{[(1E)-1-methyl-3-oxobutylidene]amino}ethyl)imino]pentan-2-one

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dc.authorwosidHadda, Taibi/Abc-7833-2021
dc.authorwosidYildirim, Sema/Abg-5085-2020
dc.contributor.authorBenjelloun, O. T.
dc.contributor.authorAkkurt, M.
dc.contributor.authorYildirim, S. O.E.
dc.contributor.authorDaoudi, M.
dc.contributor.authorBen Larbi, N.
dc.contributor.authorKerbal, A.
dc.contributor.authorBen Hadda, T.
dc.contributor.authorIDBen Hadda, Taibi/0000-0002-5633-6203
dc.date.accessioned2025-12-11T00:53:06Z
dc.date.issued2008
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Ben Hadda, T.] Fac Sci, Lab Chim Mat, Oujda 60000, Morocco; [Benjelloun, O. T.; Daoudi, M.; Ben Larbi, N.; Kerbal, A.; Bennani, B.] Fac Sci, Chim Organ Lab, Dhar Mehraz 30000, Fes, Morocco; [Akkurt, M.; Yildirim, S. Oe.] Erciyes Univ, Fac Arts & Sci, Dept Phys, TR-38039 Kayseri, Turkey; [Buyukgungor, O.] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Samsun, Turkey; [Jalbout, A. F.] Univ Arizona, Dept Chem, Tucson, AZ 85721 USAen_US
dc.descriptionBen Hadda, Taibi/0000-0002-5633-6203;en_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.description.woscitationindexScience Citation Index Expanded
dc.identifier.endpage63en_US
dc.identifier.issn1551-7004
dc.identifier.scopusqualityQ4
dc.identifier.startpage56en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12712/39952
dc.identifier.wosWOS:000260410900005
dc.identifier.wosqualityQ4
dc.language.isoenen_US
dc.publisherArkat USA Incen_US
dc.relation.ispartofArkivocen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_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
dspace.entity.typePublication

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