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dc.contributor.authorAlver, Özgür
dc.contributor.authorParlak, Cemal
dc.contributor.authorŞenyel, Mustafa
dc.date.accessioned2019-10-20T09:30:56Z
dc.date.available2019-10-20T09:30:56Z
dc.date.issued2009
dc.identifier.issn1011-3924
dc.identifier.urihttps://hdl.handle.net/11421/17527
dc.description.abstractVibrational frequencies and approximate mode descriptions of 1,7-diaminoheptane (dahp) have been determined via Becke-3-Lee-Yang-Parr (B3LYP) density functional method with 6-31G(d) basis set. 'H, proton coupled and uncoupled 13C, I5N, DEPT, COSY, HETCOR, INADEQUATE NMR spectra and the magnitude of one bond 1Jch, 1-Ice coupling constants of dahp (C7H 18N2) have been reported for the first time. 1H, 13C, 15N NMR chemical shifts and J ch. 1Jcc coupling constants of dahp 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 vibrational frequencies and NMR propertiesen_US
dc.language.isoengen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject1,7-Diaminoheptaneen_US
dc.subjectDften_US
dc.subjectGiaoen_US
dc.subjectNmren_US
dc.subjectVibrational Assignmentsen_US
dc.titleNmr spectroscopic study and dft calculations of vibrational analyses, giao NMR shieldings and 'JCH, 'Jcc spin-spin coupling constants of 1,7-diaminoheptaneen_US
dc.typearticleen_US
dc.relation.journalBulletin of the Chemical Society of Ethiopiaen_US
dc.contributor.departmentAnadolu Üniversitesi, Fen Fakültesi, Fizik Bölümüen_US
dc.identifier.volume23en_US
dc.identifier.issue1en_US
dc.identifier.startpage85en_US
dc.identifier.endpage96en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.institutionauthorAlver, Özgür
dc.contributor.institutionauthorŞenyel, Mustafa


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