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

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dc.contributor.authorDemir N.
dc.contributor.authorYakali G.
dc.contributor.authorKaraman M.
dc.contributor.authorGokpek Y.
dc.contributor.authorDenizalti S.
dc.contributor.authorBilgili H.
dc.contributor.authorCan M.
dc.date.accessioned2021-05-03T20:48:17Z
dc.date.available2021-05-03T20:48:17Z
dc.date.issued2019
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 ?-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. © 2019 American Chemical Society.en_US
dc.description.sponsorshipEge Üniversitesi Dokuz Eylül Üniversitesi: 17 GEE 004, 2010, KB.FEN.13en_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.issn1932-7447en_US
dc.identifier.issue36en_US
dc.identifier.scopus2-s2.0-85072577584en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage21998en_US
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.9b05894
dc.identifier.urihttps://hdl.handle.net/11454/70824
dc.identifier.volume123en_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofJournal of Physical Chemistry Cen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleStructure-Property Relationship in ?-Conjugated Bipyridine Derivatives: Effect of Acceptor and Donor Moieties on Molecular Behavioren_US
dc.typeArticleen_US

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