Structure-Property Relationship in pi-Conjugated Bipyridine Derivatives: Effect of Acceptor and Donor Moieties on Molecular Behavior

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dc.contributor.authorDemir, Nuriye
dc.contributor.authorYakali, Gul
dc.contributor.authorKaraman, Merve
dc.contributor.authorGokpek, Yenal
dc.contributor.authorDenizalti, Serpil
dc.contributor.authorBilgili, Hakan
dc.contributor.authorDindar, Bircan
dc.contributor.authorDemic, Seraffetin
dc.contributor.authorCan, Mustafa
dc.date.accessioned2019-10-27T09:41:13Z
dc.date.available2019-10-27T09:41:13Z
dc.date.issued2019
dc.departmentEge Üniversitesien_US
dc.description.abstractHere, we reported the photophysical studies, single-crystal X-ray crystallography, and density functional theory (DFT) calculations of two bipyridine derivative molecules. In addition, thermal gravimetric analysis and cyclic voltammetry studies were also performed for both compounds. According to crystallographic data, the pi-conjugated molecules have high-quality crystal structures as a result of intramolecular and intermolecular hydrogen bonds occurring through the molecules of the compound. It was determined that when the functional groups (F- and CH3O-) were introduced to the para positions, the molecules adopted slipped stacking (J-aggregate) and antiparallel cofacial stacking (H-aggregate). It was observed that these two bipyridine derivatives disclose the relationship between molecular conformation-molecular packing modes and photophysical behavior of organic solids. The results of DFT calculations supported the structural, spectroscopic, and photophysical data and confirmed the compositions of frontier molecular orbitals in both molecules.en_US
dc.description.sponsorshipEge UniversityEge University; Dokuz Eylul UniversityDokuz Eylul University; Izmir Katip Celebi University Central Research Laboratory for the cyclic voltammetry measurement and TGA analysis, Ege University for NMR measurement and photophysical studies [17 GEE 004]; Dokuz Eylul UniversityDokuz Eylul University [2010.KB.FEN.13]; Izmir Katip Celebi UniversityIzmir Katip Celebi Universityen_US
dc.description.sponsorshipThis work was supported by the Ege University, Izmir Katip Celebi University, and Dokuz Eylul University. The authors acknowledge the Izmir Katip Celebi University Central Research Laboratory for the cyclic voltammetry measurement and TGA analysis, Ege University for NMR measurement and photophysical studies (grant no. 17 GEE 004), and Dokuz Eylul University for the use of the Agilent Xcalibur Eos diffractometer (purchased under University Research grant no. 2010.KB.FEN.13).en_US
dc.identifier.doi10.1021/acs.jpcc.9b05894
dc.identifier.endpage22008en_US
dc.identifier.issn1932-7447
dc.identifier.issn1932-7455
dc.identifier.issn1932-7447en_US
dc.identifier.issn1932-7455en_US
dc.identifier.issue36en_US
dc.identifier.startpage21998en_US
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.9b05894
dc.identifier.urihttps://hdl.handle.net/11454/28599
dc.identifier.volume123en_US
dc.identifier.wosWOS:000486360900017en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherAmer Chemical Socen_US
dc.relation.ispartofJournal of Physical Chemistry Cen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.titleStructure-Property Relationship in pi-Conjugated Bipyridine Derivatives: Effect of Acceptor and Donor Moieties on Molecular Behavioren_US
dc.typeArticleen_US

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