Synthesis, characterization, OFET, and DFT study of the novel ball-type metallophthalocyanines bridged with four diaminopyrimidine-dithiol

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dc.authoridÖzer Bekaroğlu / 0000-0002-9249-2385en_US
dc.authorwosidÖzer Bekaroğlu / N-9731-2013
dc.contributor.authorMolla, Fadime
dc.contributor.authorYazici, Aysegul
dc.contributor.authorSalcuki, Nursel Acar
dc.contributor.authorAltindal, Ahmet
dc.contributor.authorSalih, Bekir
dc.contributor.authorBekaroğlu, Özer
dc.date.accessioned2020-08-30T20:06:12Z
dc.date.available2020-08-30T20:06:12Z
dc.date.issued2020
dc.departmentİstinye Üniversitesi, Eczacılık Fakültesi, Eczacılık Temel Bilimleri Bölümüen_US
dc.descriptionBekaroglu, Ozer (isu author)
dc.description.abstractCo2Pc2 (2) and Zn2Pc2 (3) were obtained in DMF and LuPc2 (4) was obtained in hexanol by the cyclotetramerization of novel diphthalonitrile (1). Synthesized compounds were characterized by FT-IR, H-1-NMR, elemental analyses, MALDI-TOF MS and UV-vis spectroscopy techniques. Optimized geometries and electronic structures for compounds 2, 3 and 4 were investigated by Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TD-DFT). In compound 2, a new bond was observed between Co centers forming two Co(III) with the interaction of d orbitals. Computational and experimental UV-vis spectra in DMF were found in agreement for the investigated compounds. Vertical and adiabatic ionization potentials for the studied systems were also calculated. The gate dielectric performances of thin films obtained from these compounds were investigated by fabricating ITO/2-4/Au devices. The observed reverse bias J-V characteristics revealed that the leakage current in ITO/2-4/Au devices is because of the Poole-Frenkel effect. The effect of the gate dielectric on the OFET performance parameters was also investigated by fabricating bottom-gate top-contact OFET using pentacene as the active layer. Maximum field effect mobility was observed with the 2-based OFET device. Calculated HOMO-LUMO gap, hole reorganization energy and ionization energy have also supported the experimental results which indicate that 2 is the most suitable system for OFET devices.en_US
dc.description.sponsorshipFirat University Scientific Research Project Coordination Unit, (FUBAP)Firat University [FF.17.10]; Turkish Academy of Sciences, (TUBA)Turkish Academy of Sciences; Yildiz Technical University, Scientific Research Project FoundationYildiz Technical University [2016-01-01-KAP04]en_US
dc.description.sponsorshipThis work was supported by the Firat University Scientific Research Project Coordination Unit, (FUBAP), (Project No: FF.17.10), by Turkish Academy of Sciences, (TUBA) and by Yildiz Technical University, Scientific Research Project Foundation (Grant No: 2016-01-01-KAP04). Computer time provided on FenCluster by Faculty of Science, Ege University and on TUBITAK-ULAKBIM TRUBA resources are gratefully acknowledged.en_US
dc.identifier.citationMolla, F., Yazici, A., Salcuki, N. A., Altindal, A., Salih, B., & Bekaroglu, O. (2020). Synthesis, characterization, OFET, and DFT study of the novel ball-type metallophthalocyanines bridged with four diaminopyrimidine-dithiol. JOURNAL OF PORPHYRINS AND PHTHALOCYANINES, 24(5–7), 662–674. https://doi.org/10.1142/S1088424619501190en_US
dc.identifier.doi10.1142/S1088424619501190en_US
dc.identifier.endpage674en_US
dc.identifier.issn1088-4246en_US
dc.identifier.issn1099-1409en_US
dc.identifier.scopus2-s2.0-85072577786en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage662en_US
dc.identifier.urihttps://doi.org/10.1142/S1088424619501190
dc.identifier.urihttps://hdl.handle.net/20.500.12713/414
dc.identifier.volume24en_US
dc.identifier.wosWOS:000536144800006en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorBekaroğlu, Özeren_US
dc.language.isoenen_US
dc.publisherWorld Sci Publ Co Incen_US
dc.relation.ispartofJournal of Porphyrins and Phthalocyaninesen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBall-Type Phthalocyaninesen_US
dc.subjectHomodinuclearen_US
dc.subjectLeakage Currenten_US
dc.subjectDensity Functional Theoryen_US
dc.subjectOfeten_US
dc.titleSynthesis, characterization, OFET, and DFT study of the novel ball-type metallophthalocyanines bridged with four diaminopyrimidine-dithiolen_US
dc.typeArticleen_US

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