A Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidation

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dc.contributor.authorAtahan, Alparslan
dc.date.accessioned2021-12-01T18:47:13Z
dc.date.available2021-12-01T18:47:13Z
dc.date.issued2021
dc.department[Belirlenecek]en_US
dc.description.abstractThe title polyaromatic chalcone compound (PyMQ-chalcone) was sequentially synthesized via a three steps synthetic procedure and well characterized. Structural illumination was achieved by 1D and 2D NMR techniques, FTIR, LCMS/MS, and SEM. Photophysical investigations showed that the emission capacity remarkably increased by aggregation although target compound exhibited lower emission at solution state in common organic solvents. Furthermore, addition of some metal cations (such as Al3+ and Cr3+) slightly enhanced the emission in acetonitrile/water media in metal sensing studies. Lastly, density-functional theory studies were carried out by ORCA 4.2.0 software ((B3LYP; def2-TZVP basis set) to determine some electronic parameters such as HOMO-LUMO energy, total energy, dipol moment, and bond lengths, etc.en_US
dc.description.sponsorshipDepartment of Chemistry, Faculty of Science and Arts of Duzce Universityen_US
dc.description.sponsorshipThe author is thankful to Department of Chemistry, Faculty of Science and Arts of Duzce University for the laboratory facilities and Ahmad B. Musatat for the support in quantum chemical calculations.en_US
dc.identifier.doi10.1080/10406638.2020.1871036
dc.identifier.issn1040-6638
dc.identifier.issn1563-5333
dc.identifier.scopus2-s2.0-85099420652en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.urihttps://doi.org/10.1080/10406638.2020.1871036
dc.identifier.urihttps://hdl.handle.net/20.500.12684/10191
dc.identifier.wosWOS:000607247900001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorAtahan, Alparslan
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofPolycyclic Aromatic Compoundsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectChalconeen_US
dc.subjectelectronic parameteren_US
dc.subjectpyreneen_US
dc.subjectquinolineen_US
dc.subjectphotophysicsen_US
dc.titleA Novel Polyaromatic Chalcone with Multiple Functional Groups: Synthetic, Photophysical, and Computational Elucidationen_US
dc.typeArticleen_US

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