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dc.contributor.authorSidir, İsa
dc.contributor.authorSidir, Yadigar Gülseven
dc.contributor.authorBerber, Halil
dc.contributor.authorDemiray, Ferhat
dc.date.accessioned2019-10-20T09:02:58Z
dc.date.available2019-10-20T09:02:58Z
dc.date.issued2019
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://dx.doi.org/10.1016/j.molstruc.2018.08.067
dc.identifier.urihttps://hdl.handle.net/11421/16583
dc.descriptionWOS: 000449310600004en_US
dc.description.abstractIn this study, electronic, optical and spectroscopic FT-IR, UV properties of new synthesized Schiff base hydrazone derivatives, 1-(4-nitrophenyl)-2-(4-phenoxybenzylidene)hydrazone and 1-(2,4-dinitropheny1)-2-(4-phenoxybenzylidene)hydrazone are investigated by performing solution techniques and theoretical calculations. Solvatochromism and solute-solvent interactions were discussed based on the spectral results. It is observed that Schiff base hydrazone derivatives exhibit positive solvatochromism. Energy band gap E-g is determined experimentally and theoretically in solution. Concentration effect on E-g was investigated in DCM solvent for different molarities of solute. It is observed that solvent and concentration can be used for tuning E-g. NO2 substituent group gives rise to E-g value lows 0.3 eV. The refractive index (n) values were obtained from Moss, Ravindra, Herve-Vandamme, Kumar-Singh and Reddy relations based on E-g data. It is observed that n can be controlled with solvents and concentration of solutions. External electric field (EF) is theoretically applied in order to tuning HOMO-LUMO gap and dipole moment. Consequently, Schiff base hydrazone derivatives intend to be insulator under applied EFen_US
dc.description.sponsorshipBitlis Eren University, Research Foundation [BEBAP-2013.04, BEBAP-2014.05]; Bitlis Eren Universityen_US
dc.description.sponsorshipThe authors greatly appreciate Bitlis Eren University, Research Foundation for the financial support via BEBAP-2013.04 and BEBAP-2014.05 projects. The author greatly thanks to Bitlis Eren University for supporting this study by Gaussian 09W and Gauss-View5.0 software. The authors greatly thank Dr. Halil Berber for performing experiments in Chemistry Department, Faculty of Science, Anadolu University.en_US
dc.language.isoengen_US
dc.publisherElsevier Science BVen_US
dc.relation.isversionof10.1016/j.molstruc.2018.08.067en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectHydrazoneen_US
dc.subjectSchiff Baseen_US
dc.subjectOptical Propertiesen_US
dc.subjectEnergy Band Gapen_US
dc.subjectRefractive Indexen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectElectric Fielden_US
dc.titleElectronic structure and optical properties of Schiff base hydrazone derivatives by solution technique for optoelectronic devices: Synthesis, experiment and quantum chemical investigationen_US
dc.typearticleen_US
dc.relation.journalJournal of Molecular Structureen_US
dc.contributor.departmentAnadolu Üniversitesi, Fen Fakültesi, Fizik Bölümüen_US
dc.identifier.volume1176en_US
dc.identifier.startpage31en_US
dc.identifier.endpage46en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.institutionauthorBerber, Halil


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