Please use this identifier to cite or link to this item: https://hdl.handle.net/11499/3968
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dc.contributor.authorKiraz, Asli Ozturk-
dc.contributor.authorKara, İzzet-
dc.contributor.authorAk, Metin-
dc.contributor.authorCetisli, Halil-
dc.contributor.authorKolsuz, Nuri-
dc.date.accessioned2019-07-11T12:59:25Z-
dc.date.available2019-07-11T12:59:25Z-
dc.date.issued2017-01-02-
dc.identifier.issn1060-1325-
dc.identifier.urihttps://hdl.handle.net/11499/3968-
dc.description.abstractIn this work, we report a comprehensive theoretical investigation of electroactive star shaped pyrrole functionalized triazine monomer with two main goals. First goal of this work is to explore the physical and chemical properties of the monomer, then to investigate correlation between the experimental and the theoretical properties of monomer. The scale factor which is calculated from B3LYP/cc-pVDZ was determined as 0.985 for FT-IR and it is an important and reliable contribution to the literature. It is determined that the most appropriate basis set for this molecule. The other novel objective of this research is to investigate temperature effect on displacement of chlorine atoms in 2,4,6-trichloro-1,3,5-triazine. This method applied for the first time in the literature for triazines is especially crucial to the synthesis of unsymmetrical triazines.en_US
dc.language.isoenen_US
dc.publisherTaylor & Francisen_US
dc.relation.ispartofJournal of Macromolecular Science Part A: Pure and Applied Chemistryen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectTheoretical calculationsen_US
dc.subjectStar-shaped polymersen_US
dc.subjectStar-shaped moleculesen_US
dc.subjectPhysicochemical propertiesen_US
dc.subject2,4,6-trichloro-1,3,5-triazineen_US
dc.subjects-Triazinesen_US
dc.subjectDensity functional theoryen_US
dc.subjectHFen_US
dc.subjectDFTen_US
dc.titleTheoretical investigation of triazine based a star shape pyrrole monomeren_US
dc.typeArticleen_US
dc.identifier.volume54en_US
dc.identifier.issue1en_US
dc.identifier.startpage16en_US
dc.identifier.endpage23en_US
dc.authorid0000-0002-0000-4613-
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.scopus2-s2.0-84997606277en_US
dc.identifier.wosWOS:000389474400003en_US
dc.identifier.scopusqualityQ2-
dc.ownerPamukkale University-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.grantfulltextreserved-
item.openairetypeArticle-
item.cerifentitytypePublications-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
crisitem.author.dept17.03. Physics-
crisitem.author.dept09.01. Mathematics and Science Teaching-
crisitem.author.dept17.01. Chemistry-
crisitem.author.dept17.03. Physics-
Appears in Collections:Eğitim Fakültesi Koleksiyonu
Fen-Edebiyat Fakültesi Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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