A comparative study of selected disperse azo dye derivatives based on spectroscopic (FT-IR, NMR and UV-Vis) and nonlinear optical behaviors

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dc.contributor.authorCinar M.
dc.contributor.authorCoruh A.
dc.contributor.authorKarabacak M.
dc.date.accessioned2024-07-22T08:16:07Z
dc.date.available2024-07-22T08:16:07Z
dc.date.issued2014
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.
dc.identifier.DOI-ID10.1016/j.saa.2013.11.106
dc.identifier.issn13861425
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/16783
dc.language.isoEnglish
dc.subjectAzo Compounds
dc.subjectColoring Agents
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectSpectrophotometry, Ultraviolet
dc.subjectSpectroscopy, Fourier Transform Infrared
dc.subjectElectronic properties
dc.subjectNonlinear optics
dc.subjectNuclear magnetic resonance
dc.subjectNuclear magnetic resonance spectroscopy
dc.subjectQuantum chemistry
dc.subjectUltraviolet visible spectroscopy
dc.subjectDisperse azo dyes
dc.subjectFT-IR
dc.subjectNLO
dc.subjectNMR
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
dc.subjectazo compound
dc.subjectcoloring agent
dc.subjectDisperse azo dye
dc.subjectFT-IR
dc.subjectNLO
dc.subjectQuantum chemical calculations
dc.subjectUV-Vis
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.subjectAzo dyes
dc.titleA comparative study of selected disperse azo dye derivatives based on spectroscopic (FT-IR, NMR and UV-Vis) and nonlinear optical behaviors
dc.typeArticle

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