Synthesis and spectral properties of symmetrically arylated BODIPY dyes: Experimental and computational approach

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dc.authoridÖkten, Salih/0000-0001-9656-1803
dc.authoridTutar, Omer Faruk/0000-0002-5146-0811
dc.authorwosidÖkten, Salih/D-4283-2015
dc.contributor.authorYilmaz, Rasit Fikret
dc.contributor.authorDerin, Yavuz
dc.contributor.authorMisir, Busra Albayrak
dc.contributor.authorAtalay, Vildan Enisoglu
dc.contributor.authorTutar, Omer Faruk
dc.contributor.authorOkten, Salih
dc.contributor.authorTutar, Ahmet
dc.date.accessioned2024-05-19T14:39:31Z
dc.date.available2024-05-19T14:39:31Z
dc.date.issued2023
dc.departmentİstinye Üniversitesien_US
dc.description.abstractIn this study, a series of symmetrically arylated BODIPY dyes were synthesized using a pre-functionalization method, and their structures were characterized by several spectroscopic methods. The relationship between the aryl substitution pattern and the photophysical and electrochemical properties of the dyes was investigated using experimental and computational methods. It was found that electron-donating & pi;-conjugated groups at the meso position and electron-accepting & pi;-conjugated groups at the C3/C5 position led to blue-shifted spectra, while the opposite substitution pattern resulted in red-shifted spectra. Additionally, inductive electron-donating alkyl groups at the meso position produced a blue spectral shift and an alkyl group at the meso position significantly increased the fluorescence quantum yield compared to the arylated counterparts. Computational investigations revealed that a thioanisyl group at the C3/C5 position resulted in a significantly narrow band gap. These results provide valuable insights into the design and development of new BODIPY dyes with tailored properties for various applications.en_US
dc.description.sponsorshipScientific andTechnological Research Council of Turkey (TUBITAK) [114Z176]; Sakarya University Scientific Research Foundation [2016-50-01-039, 2017-50-02-023]; Council of Higher Education (CoHE) of Turkey [100/2000]en_US
dc.description.sponsorshipThis work was financially supported by the Scientific andTechnological Research Council of Turkey (TUBITAK) (Grant Number 114Z176) . Sakarya University Scientific Research Foundation (Project no: 2016-50-01-039; 2017-50-02-023) . Bues,ra Albayrak Misir is supported by the Council of Higher Education (CoHE) of Turkey with 100/2000 PhD Scholarship.en_US
dc.identifier.doi10.1016/j.molstruc.2023.135962
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85163825889en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org10.1016/j.molstruc.2023.135962
dc.identifier.urihttps://hdl.handle.net/20.500.12713/4796
dc.identifier.volume1291en_US
dc.identifier.wosWOS:001034137300001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_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.snmz20240519_kaen_US
dc.subjectBodipyen_US
dc.subjectSuzuki Couplingen_US
dc.subjectArylated Bodipyen_US
dc.subjectSpectral Shiftsen_US
dc.subjectDft Studyen_US
dc.subjectPhotophysical Propertiesen_US
dc.titleSynthesis and spectral properties of symmetrically arylated BODIPY dyes: Experimental and computational approachen_US
dc.typeArticleen_US

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