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.accessioned2024-07-18T12:02:49Z
dc.date.available2024-07-18T12:02:49Z
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 H-1 and C-13 NMR spectra in chloroform and dimethylsulfoxide solution. The DFT/gauge-invariant atomic orbital (CIAO) 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. (C) 2013 Elsevier B.V. All rights reserved.
dc.identifier.issn1386-1425
dc.identifier.other1873-3557
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/8699
dc.language.isoEnglish
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.subjectDENSITY-FUNCTIONAL THEORY
dc.subjectLANGMUIR-BLODGETT-FILMS
dc.subjectCONFIGURATION-INTERACTION
dc.subjectEXCITED-STATES
dc.subjectVIBRATIONAL FREQUENCIES
dc.subjectMOLECULAR-CONFORMATION
dc.subjectEXCITATION-ENERGIES
dc.subjectRESPONSE THEORY
dc.subjectCHEMICAL-SHIFT
dc.subjectAZOBENZENE
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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