Electronic structure and optical properties of Schiff base hydrazone derivatives by solution technique for optoelectronic devices: Synthesis, experiment and quantum chemical investigation

Basit Öğe Kaydı
dc.authorid0000-0002-4071-9285
dc.authorid0000-0003-3869-3861
dc.contributor.authorSıdır, İsa
dc.contributor.authorSıdır, Yadigar Gülseven
dc.contributor.authorBerber, Halil
dc.contributor.authorDemiray, Ferhat
dc.date.accessioned2021-06-23T19:53:46Z
dc.date.available2021-06-23T19:53:46Z
dc.date.issued2019
dc.departmentBAİBÜ, Mühendislik Fakültesi, Bilgisayar Mühendisliği Bölümüen_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 EF. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.molstruc.2018.08.067
dc.identifier.endpage46en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85053063120en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage31en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.08.067
dc.identifier.urihttps://hdl.handle.net/20.500.12491/10233
dc.identifier.volume1176en_US
dc.identifier.wosWOS:000449310600004en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorDemiray, Ferhat
dc.language.isoenen_US
dc.publisherElsevier Science Bven_US
dc.relation.ispartofJournal Of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_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

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
isa-sidir.pdf
Boyut:
4.78 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin/Full Text
İndir

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Bilgisayar Mühendisliği Bölümü Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu