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

Basit Öğe Kaydı
dc.authoridÖzer Bekaroğlu / 0000-0002-9249-2385en_US
dc.authorscopusidÖzer Bekaroğlu / 7004248183en_US
dc.authorwosidÖzer Bekaroğlu / N-9731-2013en_US
dc.contributor.authorMolla, Fadime
dc.contributor.authorYazici, Aysegul
dc.contributor.authorSelcuki, Nursel Acar
dc.contributor.authorAltindal, Ahmet
dc.contributor.authorSalih, Bekir
dc.contributor.authorBekaroğlu, Özer
dc.contributor.authorBall-Type Phthalocyanines
dc.contributor.authorDensity Functional Theory
dc.date.accessioned2022-08-17T06:23:20Z
dc.date.available2022-08-17T06:23:20Z
dc.date.issued2022en_US
dc.departmentİstinye Üniversitesien_US
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, 1H-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 devicesen_US
dc.identifier.citationMolla, F., Yazlcl, A., Selçuki, N. A., Altlndal, A., Salih, B., & Bekaroǧlu, Ö. (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. doi:10.1142/S1088424619501190_rfseq1en_US
dc.identifier.doi10.1142/S1088424619501190_rfseq1en_US
dc.identifier.endpage674en_US
dc.identifier.issn1088-4246en_US
dc.identifier.issue5-7en_US
dc.identifier.scopus2-s2.0-85072577786en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage662en_US
dc.identifier.urihttp://doi.org/10.1142/S1088424619501190_rfseq1
dc.identifier.urihttps://hdl.handle.net/20.500.12713/3094
dc.identifier.volume24en_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorBekaroğlu, Özer
dc.language.isoenen_US
dc.publisherWorld Scientific Publishing Co. Pte. Ltd.en_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.subjectHomodinuclearen_US
dc.subjectBall-Type Phthalocyaninesen_US
dc.subjectDensity Functional Theoryen_US
dc.subjectLeakage Currenten_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

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
No Text Available.docx
Boyut:
11.77 KB
Biçim:
Microsoft Word XML
Açıklama:
Tam Metin / Full Text
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu