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Structural and Theoretical Studies of 4,4'-[1,4-phenylene-bis-(azanediyl)]dipent-3-en-2-one: Evidence of a π-Delocalized Keto-Enamine

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dc.authorscopusid16204811300
dc.authorscopusid14832237900
dc.authorscopusid35793361300
dc.authorscopusid21742174600
dc.authorscopusid59157895900
dc.authorscopusid6507055122
dc.authorscopusid36039473500
dc.contributor.authorBenjelloun, O.T.
dc.contributor.authorAkkurt, M.
dc.contributor.authorYíldírím, S.Ö.
dc.contributor.authorDaoudi, M.
dc.contributor.authorBen hadda, T.B.
dc.contributor.authorBoukir, A.
dc.contributor.authorBüyuk̈güngör, O.
dc.date.accessioned2020-06-21T15:17:58Z
dc.date.available2020-06-21T15:17:58Z
dc.date.issued2008
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Benjelloun] Oumaima T., Laboratory of Organic Chemistry, Faculté des Sciences Dhar El Mahraz, Université Sidi Mohamed Ben Abdellah, Fez, Fes-Meknes, Morocco; [Akkurt] Mehmet, Department of Physics, Erciyes Üniversitesi, Kayseri, Kayseri, Turkey; [Yíldírím] Sema Öztürk, Department of Physics, Erciyes Üniversitesi, Kayseri, Kayseri, Turkey; [Daoudi] Maria, Laboratory of Organic Chemistry, Faculté des Sciences Dhar El Mahraz, Université Sidi Mohamed Ben Abdellah, Fez, Fes-Meknes, Morocco; [Ben hadda] T., Laboratoire de Chimie des Matériaux, Faculté des Sciences d’Oujda, Oujda, Oriental, Morocco; [Boukir] Abdellatif, Laboratory of Organic Chemistry, Faculté des Sciences Dhar El Mahraz, Université Sidi Mohamed Ben Abdellah, Fez, Fes-Meknes, Morocco; [Büyuk̈güngör] Orhan, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Jalbout] Abraham F., Institute of Chemistry, Universidad Nacional Autónoma de México, Mexico, Mexicoen_US
dc.description.abstractIn this work we present the synthesis of 4,4′-[1,4-phenylene- bis(azanediyl)]dipent-3-en-2-one. Evidence is proposed for the presence of various tautomers of this molecule which are complemented with theoretical density functional theory (DFT)-B3LYP/6-31G* calculations to characterize the potential energy surface of these species. The experimentally observed 3b isomer crystallizes as an orthorhombic Pbcn structure; a = 10.8412(10) Å, b = 8.9205(7)Å, c = 14.9949(13)Å, V = 1450.1(2) Å3, Z = 4 with a final R value is 0.038. From our X-Ray crystallographic analysis an intramolecular hydrogen N-H⋯O interaction is observed. ©ARKAT USA, Inc.en_US
dc.identifier.doi10.3998/ark.5550190.0009.210
dc.identifier.endpage93en_US
dc.identifier.issn1551-7004
dc.identifier.issn1551-7012
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-38349147643
dc.identifier.scopusqualityQ4
dc.identifier.startpage80en_US
dc.identifier.urihttps://doi.org/10.3998/ark.5550190.0009.210
dc.identifier.volume2008en_US
dc.identifier.wosWOS:000254896500010
dc.identifier.wosqualityQ4
dc.language.isoenen_US
dc.publisherArkaten_US
dc.relation.ispartofArkivocen_US
dc.relation.journalArkivocen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectBis-N,O-Liganden_US
dc.subjectDFT Methodsen_US
dc.subjectGeometrical Parametersen_US
dc.subjectTautomeric Formsen_US
dc.titleStructural and Theoretical Studies of 4,4'-[1,4-phenylene-bis-(azanediyl)]dipent-3-en-2-one: Evidence of a π-Delocalized Keto-Enamineen_US
dc.typeArticleen_US
dspace.entity.typePublication

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