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Infrared and Raman Spectra, Ab Initio Calculations, Force Field Refinement and Vibrational Assignment of 3-Aminophenol

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dc.contributorFen Edebiyat Fakültesi / Faculty of Letters and Sciences Fizik / Physicstr_TR
dc.contributor.authorBüyükmurat, Y.
dc.contributor.authorAKYÜZ, SEVİM
dc.contributor.authorID10127tr_TR
dc.date.accessioned2018-09-03T12:50:16Z
dc.date.available2018-09-03T12:50:16Z
dc.date.issued2005-06-03
dc.description.abstractThe molecular geometry and molecular vibrations of 3-aminophenol and its some deuterated derivatives have been investigated with the aid of quantum chemical calculations, normal coordinate analysis using force field refinement method and vibrational spectroscopy. The barrier of the OH group pointing in the direction of the amino group with respect to the anti conformer for 3-aminophenol was computed to be 2.44 kJ/mol. The spectroscopic and theoretical results are compared to the corresponding properties for some similar molecules.tr_TR
dc.identifier744-747tr_TR
dc.identifier744-747tr_TR
dc.identifier744-747tr_TR
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2004.10.100
dc.identifier.urihttps://hdl.handle.net/11413/2609
dc.language.isoen_UStr_TR
dc.publisherElseviertr_TR
dc.relationJournal of Molecular Structuretr_TR
dc.subjectAb Initio Calculationstr_TR
dc.subjectAminophenoltr_TR
dc.subjectForce Field Refinementtr_TR
dc.subjectNfrared and Raman Spectratr_TR
dc.titleInfrared and Raman Spectra, Ab Initio Calculations, Force Field Refinement and Vibrational Assignment of 3-Aminophenoltr_TR
dc.typeArticletr_TR
dspace.entity.typePublication
relation.isAuthorOfPublication70600e97-ae14-4ca5-b357-0fd647a25331
relation.isAuthorOfPublication.latestForDiscovery70600e97-ae14-4ca5-b357-0fd647a25331

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