Characterization of dinaphthosulfoxide molecule

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dc.authoridUluçam, Gühergül/0000-0001-6481-8483
dc.authoridOkan, Sevket Erol/0000-0002-1707-2671
dc.authorwosidUluçam, Gühergül/AAH-2862-2019
dc.contributor.authorUlucam, Guhergul
dc.contributor.authorOkan, S. Erol
dc.contributor.authorAktas, Saban
dc.contributor.authorOgretmen, Gul Penbe
dc.date.accessioned2024-06-12T10:59:38Z
dc.date.available2024-06-12T10:59:38Z
dc.date.issued2015
dc.departmentTrakya Üniversitesien_US
dc.description.abstractDinaphthosulfoxide has been synthesized, and confirmed by the experimental methods. The geometrical optimization of the two isomers of the molecule in their ground state was studied using density functional theory. Then, NMR and IR spectra were calculated for the optimized configurations. Analyzing the hydroxyl features in the NMR data and that of sulfoxide in IR spectra, the experimental observables are found to be in agreement with the properties of the syn isomer. (C) 2015 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipTrakya University Scientific Research Fund [TUBAP-2012-09]en_US
dc.description.sponsorshipThis work is funded by Trakya University Scientific Research Fund, project TUBAP-2012-09.en_US
dc.identifier.doi10.1016/j.molstruc.2015.08.051
dc.identifier.endpage152en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-84940991034en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage146en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2015.08.051
dc.identifier.urihttps://hdl.handle.net/20.500.14551/20507
dc.identifier.volume1102en_US
dc.identifier.wosWOS:000364268300021en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal Of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDinaphthosulfoxideen_US
dc.subject1,1 '-Sulfinylbis(Naphthalen-2-Ol)en_US
dc.subjectMolecular Structureen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectEfficient Routeen_US
dc.subjectDerivativesen_US
dc.subjectPodandsen_US
dc.titleCharacterization of dinaphthosulfoxide moleculeen_US
dc.typeArticleen_US

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