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Experimental (X-Ray, IR and UV-Vis.) and DFT Studies on Cocrystallization of Two Tautomers of a Novel Schiff Base Compound

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dc.authorscopusid15020075600
dc.authorscopusid55499751600
dc.authorscopusid57105735600
dc.authorscopusid7003281189
dc.authorwosidTemel, Ersin/A-8804-2017
dc.contributor.authorTemel, Ersin
dc.contributor.authorAlasalvar, Can
dc.contributor.authorEserci, Hande
dc.contributor.authorAgar, Erbil
dc.contributor.authorIDTemel, Ersin/0000-0002-8822-6674
dc.contributor.authorIDAlaşalvar, Can/0000-0002-4983-962X
dc.date.accessioned2020-06-21T09:04:46Z
dc.date.available2020-06-21T09:04:46Z
dc.date.issued2017
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Temel, Ersin; Alasalvar, Can] Giresun Univ, Tech Sci Vocat High Sch, Dept Elect & Energy, Giresun, Turkey; [Eserci, Hande; Agar, Erbil] Ondokuz Mays Univ, Fac Arts & Sci, Dept Chem, Samsun, Turkeyen_US
dc.descriptionTemel, Ersin/0000-0002-8822-6674; Alaşalvar, Can/0000-0002-4983-962Xen_US
dc.description.abstractIn this study, the structure of 4-(((2-methyl-3-nitrophenyl)imino)methyl)benzene-1,2,3-triol was investigated with experimental (X-ray single crystal technique, UV-vis. and FT-IR spectroscopic techniques) and theoretical (DFT) methods. X-ray studies show that there are two independent molecules in asymmetric unit and coexist both keto-amin and enol-imine tautomeric forms. Theoretical studies were carried out in B3LYP with CAM-631G(d,p). The data obtained from calculation were compared with experimental data. (C) 2016 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipGiresun University in Turkey [FEN-BAP-A-250414-77]; Ondokuz Mayis University in Turkey [PYO.FEN.1904.14.006]en_US
dc.description.sponsorshipThis study was financially supported by Giresun University (FEN-BAP-A-250414-77) and Ondokuz Mayis University (PYO.FEN.1904.14.006) in Turkey.en_US
dc.description.woscitationindexScience Citation Index Expanded
dc.identifier.doi10.1016/j.molstruc.2016.08.038
dc.identifier.endpage12en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-84983380945
dc.identifier.scopusqualityQ1
dc.identifier.startpage5en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.08.038
dc.identifier.volume1128en_US
dc.identifier.wosWOS:000387194600002
dc.identifier.wosqualityQ2
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.journalJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSchiff Basesen_US
dc.subjectTautomerismen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectEnol-Imineen_US
dc.subjectKeto-Amineen_US
dc.titleExperimental (X-Ray, IR and UV-Vis.) and DFT Studies on Cocrystallization of Two Tautomers of a Novel Schiff Base Compounden_US
dc.typeArticleen_US
dspace.entity.typePublication

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