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dc.contributor.authorŞenyel, Mustafa
dc.contributor.authorAlver, Özgür
dc.contributor.authorParlak, Cemal
dc.date.accessioned2019-10-19T11:17:30Z
dc.date.available2019-10-19T11:17:30Z
dc.date.issued2008
dc.identifier.issn1386-1425
dc.identifier.urihttps://dx.doi.org/10.1016/j.saa.2008.02.005
dc.identifier.urihttps://hdl.handle.net/11421/11711
dc.descriptionWOS: 000261118400018en_US
dc.descriptionPubMed ID: 18373948en_US
dc.description.abstractProton coupled and decoupled C-13, H-1, N-15, DEPT, COSY, HETCOR and INADEQUATE NMR spectra of 3-piperidino-propylamine (3-pipa) have been reported for the first time. In order to provide a precise structural elucidation, the magnitude of (n)J(C, H) (n = 1, 2, 3) Coupling constants of 3-pipa (C8H18N2) have been determined. Solvent effects on chemical shifts have been investigated by using CDCl3 and DMSO. Molecular mobility of the title molecule has also been investigated by performing C-13 NMR spin-lattice relaxation firm (T-1) measurements. C-13. H-1 and N-15 NMR chemical shifts and (1-3)J(C, H) coupling constants of 3-pipa have been calculated by means of B3LYP density functional method with 6-311 ++G(d,p) basis set. Comparison between the experimental and the theoretical results indicates that density functional B3LYP method is able to provide satisfactory results for predicting NMR propertiesen_US
dc.language.isoengen_US
dc.publisherPergamon-Elsevier Science LTDen_US
dc.relation.isversionof10.1016/j.saa.2008.02.005en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectNmren_US
dc.subjectH-1en_US
dc.subjectC-13en_US
dc.subjectN-15en_US
dc.subjectCoupling Constantsen_US
dc.subject3-Piperidino-Propylamineen_US
dc.subjectGiaoen_US
dc.subjectDften_US
dc.titleH-1, C-13, N-15 NMR and (n)J(C, H) coupling constants investigation of 3-piperidino-propylamine: A combined experimental and theoretical studyen_US
dc.typearticleen_US
dc.relation.journalSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopyen_US
dc.contributor.departmentAnadolu Üniversitesi, Bitki, İlaç ve Bilimsel Araştırmalar Merkezien_US
dc.identifier.volume71en_US
dc.identifier.issue3en_US
dc.identifier.startpage830en_US
dc.identifier.endpage834en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.institutionauthorŞenyel, Mustafa
dc.contributor.institutionauthorAlver, Özgür


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