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dc.contributor.authorCinar M.
dc.contributor.authorCoruh A.
dc.contributor.authorKarabacak M.
dc.date.accessioned20.04.201910:49:12
dc.date.accessioned2019-04-20T21:44:10Z
dc.date.available20.04.201910:49:12
dc.date.available2019-04-20T21:44:10Z
dc.date.issued2014
dc.identifier.issn1386-1425
dc.identifier.urihttps://dx.doi.org/10.1016/j.saa.2013.11.106
dc.identifier.urihttps://hdl.handle.net/20.500.12403/789
dc.description.abstractIn the present work, a combined experimental and quantum chemical study on ground state equilibrium structure, spectroscopic and nonlinear optical properties of selected disperse azo dye molecules are reported. The vibrational transitions were identified based on the recorded FT-IR spectra in the range of 4000-400 cm-1 for solid state, simulated IR spectra and total energy distribution (TED) of vibrational modes. The chemical shifts were determined from the results of observed 1H and 13C NMR spectra in chloroform and dimethylsulfoxide solution. The DFT/gauge-invariant atomic orbital (GIAO) methodology was applied to predict the magnetic properties. Electronic properties were carried out by UV-Vis spectroscopy and TD-DFT/CIS approach. The nonlinear optical (NLO) features were addressed theoretically. A detailed description of spectroscopic and NLO behaviors of studied disperse azo dyes was reported with the help of comparison of experimental measurements and theoretical calculations. © 2013 Elsevier B.V. All rights reserved.en_US
dc.language.isoengen_US
dc.relation.isversionof10.1016/j.saa.2013.11.106
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectNLO
dc.subjectNMR
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectDisperse azo dye
dc.subjectFT-IR
dc.subjectNLO
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectElectronic properties
dc.subjectNonlinear optics
dc.subjectNuclear magnetic resonance
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectQuantum chemistry
dc.subjectUltraviolet visible spectroscopy
dc.subjectAzo dyes
dc.subjectazo compound
dc.subjectcoloring agent
dc.subjectarticle
dc.subjectchemistry
dc.subjectcomparative study
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectinfrared spectroscopy
dc.subjectNLO
dc.subjectnuclear magnetic resonance
dc.subjectnuclear magnetic resonance spectroscopy
dc.subjectQuantum chemical calculations
dc.subjectultraviolet spectrophotometry
dc.subjectUV-Vis
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectNLO
dc.subjectNMR
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectAzo Compounds
dc.subjectColoring Agents
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectSpectrophotometry, Ultraviolet
dc.subjectSpectroscopy, Fourier Transform Infrared
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectNLO
dc.subjectNMR
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectDisperse azo dye
dc.subjectFT-IR
dc.subjectNLO
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectElectronic properties
dc.subjectNonlinear optics
dc.subjectNuclear magnetic resonance
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectQuantum chemistry
dc.subjectUltraviolet visible spectroscopy
dc.subjectAzo dyes
dc.subjectazo compound
dc.subjectcoloring agent
dc.subjectarticle
dc.subjectchemistry
dc.subjectcomparative study
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectinfrared spectroscopy
dc.subjectNLO
dc.subjectnuclear magnetic resonance
dc.subjectnuclear magnetic resonance spectroscopy
dc.subjectQuantum chemical calculations
dc.subjectultraviolet spectrophotometry
dc.subjectUV-Vis
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectNLO
dc.subjectNMR
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectAzo Compounds
dc.subjectColoring Agents
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectSpectrophotometry, Ultraviolet
dc.subjectSpectroscopy, Fourier Transform Infrared
dc.titleA comparative study of selected disperse azo dye derivatives based on spectroscopic (FT-IR, NMR and UV-Vis) and nonlinear optical behaviorsen_US
dc.typearticleen_US
dc.relation.journalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopyen_US
dc.contributor.departmentBayburt Universityen_US
dc.contributor.authorID15764678000
dc.contributor.authorID24460990900
dc.contributor.authorID23060992300
dc.identifier.volume122
dc.identifier.startpage682
dc.identifier.endpage689
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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